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5-(3,4-diethoxyphenyl)-4-methyl-1H-pyrazol-3-amine

5-(3,4-diethoxyphenyl)-4-methyl-1H-pyrazol-3-amine

CAS: 1232838-56-0

Formula: C14H19N3O2

SMILES: CCOC1=C(OCC)C=C(C=C1)C1=C(C)C(N)=NN1

IUPAC: 5-(3,4-diethoxyphenyl)-4-methyl-1H-pyrazol-3-amine

InChI: InChI=1S/C14H19N3O2/c1-4-18-11-7-6-10(8-12(11)19-5-2)13-9(3)14(15)17-16-13/h6-8H,4-5H2,1-3H3,(H3,15,16,17)

Composition: C (64.35%), H (7.33%), N (16.08%), O (12.24%)

Molar Mass: 261.325

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 261.147726864
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey XQTCZZYNNGCGLN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.24
Topological Polar Surface Area 73.16
Polarizability 29.69
Ring Count 2
Rotatable Bond Count 5

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