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5-(3-methylbutyl)-1H-pyrazole-3-carboxylic acid

5-(3-methylbutyl)-1H-pyrazole-3-carboxylic acid

Formula: C9H14N2O2

SMILES: CC(C)CCC1=CC(=NN1)C(O)=O

IUPAC: 5-(3-methylbutyl)-1H-pyrazole-3-carboxylic acid

InChI: InChI=1S/C9H14N2O2/c1-6(2)3-4-7-5-8(9(12)13)11-10-7/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)

Composition: C (59.32%), H (7.74%), N (15.37%), O (17.56%)

Molar Mass: 182.223

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 182.105527699
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CTBFZIBBKPFHDW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.05
Topological Polar Surface Area 65.98
Polarizability 18.63
Ring Count 1
Rotatable Bond Count 4

Suppliers

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OTAVA LTD.
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Purity LeadTime Formula PacketSize UnitPrice
90% <10 Days C9H14N2O2 $208.21-$494.62$208.21$304.00$398.82$494.62
MFCD20657668
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Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C9H14N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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