5-phenyl-1H-pyrazole-3,4-diamine

C9H10N4 — CID 12887461

IUPAC5-phenyl-1H-pyrazole-3,4-diamine
SMILESNc1n[nH]c(-c2ccccc2)c1N
InChIInChI=1S/C9H10N4/c10-7-8(12-13-9(7)11)6-4-2-1-3-5-6/h1-5H,10H2,(H3,11,12,13)
InChIKeySGJNUIVHFDXMRC-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.24
Rot. Bonds1

About 5-phenyl-1H-pyrazole-3,4-diamine

5-phenyl-1H-pyrazole-3,4-diamine (PubChem CID 12887461) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-phenyl-1H-pyrazole-3,4-diamine.

Molecular Properties

Compound Name5-phenyl-1H-pyrazole-3,4-diamine
PubChem CID12887461
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5-phenyl-1H-pyrazole-3,4-diamine
SMILESNc1n[nH]c(-c2ccccc2)c1N
InChIInChI=1S/C9H10N4/c10-7-8(12-13-9(7)11)6-4-2-1-3-5-6/h1-5H,10H2,(H3,11,12,13)
InChIKeySGJNUIVHFDXMRC-UHFFFAOYSA-N
XLogP1.24
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-phenyl-1H-pyrazole-4-carbaldehyde
CID 15687152
4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine
CID 56999952
5-(4-benzylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3766427
5-ethynyl-4-phenyl-1H-pyrazol-3-amine
CID 138488812
2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide
CID 99992864
5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3600901
4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine
CID 79754898
4-pyridin-2-yl-5-pyridin-3-yl-1H-pyrazol-3-amine
CID 80521247
5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine
CID 102020194
5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine
CID 4069133
5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80523727
4-(5-phenyl-1H-pyrazol-4-yl)aniline
CID 39222207

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-pyrazole-3,4-diamine?
The IUPAC name of 5-phenyl-1H-pyrazole-3,4-diamine (CID 12887461) is 5-phenyl-1H-pyrazole-3,4-diamine.
What is the SMILES notation for 5-phenyl-1H-pyrazole-3,4-diamine?
The canonical SMILES for 5-phenyl-1H-pyrazole-3,4-diamine is Nc1n[nH]c(-c2ccccc2)c1N.
What is the InChIKey of 5-phenyl-1H-pyrazole-3,4-diamine?
The InChIKey is SGJNUIVHFDXMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-7-8(12-13-9(7)11)6-4-2-1-3-5-6/h1-5H,10H2,(H3,11,12,13).
What are the key properties of 5-phenyl-1H-pyrazole-3,4-diamine?
5-phenyl-1H-pyrazole-3,4-diamine has a molecular weight of 174.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-pyrazole-3,4-diamine is sourced from PubChem (CID 12887461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).