3-methyl-1-phenylpyrazole-4,5-diamine

C10H12N4 — CID 872517

IUPAC3-methyl-1-phenylpyrazole-4,5-diamine
SMILESCc1nn(-c2ccccc2)c(N)c1N
InChIInChI=1S/C10H12N4/c1-7-9(11)10(12)14(13-7)8-5-3-2-4-6-8/h2-6H,11-12H2,1H3
InChIKeyJSVCLRZBHIRDNZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.35
Rot. Bonds1

About 3-methyl-1-phenylpyrazole-4,5-diamine

3-methyl-1-phenylpyrazole-4,5-diamine (PubChem CID 872517) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-methyl-1-phenylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-1-phenylpyrazole-4,5-diamine
PubChem CID872517
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name3-methyl-1-phenylpyrazole-4,5-diamine
SMILESCc1nn(-c2ccccc2)c(N)c1N
InChIInChI=1S/C10H12N4/c1-7-9(11)10(12)14(13-7)8-5-3-2-4-6-8/h2-6H,11-12H2,1H3
InChIKeyJSVCLRZBHIRDNZ-UHFFFAOYSA-N
XLogP1.35
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-phenylpyrazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
1-Phenylpyrazol-5-ylamine
CID 70006
Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine
CID 7037010
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 7130757
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
CID 770634

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylpyrazole-4,5-diamine?
The IUPAC name of 3-methyl-1-phenylpyrazole-4,5-diamine (CID 872517) is 3-methyl-1-phenylpyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-1-phenylpyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-1-phenylpyrazole-4,5-diamine is Cc1nn(-c2ccccc2)c(N)c1N.
What is the InChIKey of 3-methyl-1-phenylpyrazole-4,5-diamine?
The InChIKey is JSVCLRZBHIRDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7-9(11)10(12)14(13-7)8-5-3-2-4-6-8/h2-6H,11-12H2,1H3.
What are the key properties of 3-methyl-1-phenylpyrazole-4,5-diamine?
3-methyl-1-phenylpyrazole-4,5-diamine has a molecular weight of 188.23 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylpyrazole-4,5-diamine is sourced from PubChem (CID 872517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).