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ethyl 5-(pyridin-4-yl)-1H-pyrazole-3-carboxylate

ethyl 5-(pyridin-4-yl)-1H-pyrazole-3-carboxylate

CAS: 911461-42-2

Formula: C11H11N3O2

SMILES: CCOC(=O)C1=NNC(=C1)C1=CC=NC=C1

IUPAC: ethyl 5-(pyridin-4-yl)-1H-pyrazole-3-carboxylate

InChI: InChI=1S/C11H11N3O2/c1-2-16-11(15)10-7-9(13-14-10)8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,13,14)

Composition: C (60.82%), H (5.10%), N (19.34%), O (14.73%)

Molar Mass: 217.228

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 217.085126606
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DKADLBFTYWLLOD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59
Topological Polar Surface Area 67.87
Polarizability 23.45
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 911461-42-2 $73.60-$649.75$73.60$85.10$103.50$135.70$161.00$247.25$391.00$649.75
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J&W PHARMLAB LLC
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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 911461-42-2 $112.70-$802.70$112.70$124.20$143.75$171.35$227.70$802.70
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