4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile

C11H10N4 — CID 125449573

IUPAC4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile
SMILESCc1ccc(C#N)cc1Nc1cn[nH]c1
InChIInChI=1S/C11H10N4/c1-8-2-3-9(5-12)4-11(8)15-10-6-13-14-7-10/h2-4,6-7,15H,1H3,(H,13,14)
InChIKeyHPZLLMPUSCTFAS-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.33
Rot. Bonds2

About 4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile

4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile (PubChem CID 125449573) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile.

Molecular Properties

Compound Name4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile
PubChem CID125449573
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile
SMILESCc1ccc(C#N)cc1Nc1cn[nH]c1
InChIInChI=1S/C11H10N4/c1-8-2-3-9(5-12)4-11(8)15-10-6-13-14-7-10/h2-4,6-7,15H,1H3,(H,13,14)
InChIKeyHPZLLMPUSCTFAS-UHFFFAOYSA-N
XLogP2.33
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile 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-(5-cyano-2-methylanilino)pyridine-2-carbonitrile
CID 115487650
4-[1-(1H-pyrazol-4-ylamino)ethyl]benzonitrile
CID 43540037
3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile
CID 83266542
3-(4,5-dihydro-1,3-thiazol-2-ylamino)-4-methylbenzonitrile
CID 62103967
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
4-(5-amino-2-methylanilino)benzonitrile
CID 62588662
3-[(5-aminopyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 79917359
3-[(3-bromo-2-pyridinyl)amino]-4-methylbenzonitrile
CID 62103790
4-methyl-3-(2-methylhydrazinyl)benzonitrile
CID 143275745
3-(4-amino-3-propan-2-yloxyanilino)-4-methylbenzonitrile
CID 83005086
5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile
CID 62103720
3-[(6-chloropyridazin-3-yl)amino]-4-methylbenzonitrile
CID 62105253

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile?
The IUPAC name of 4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile (CID 125449573) is 4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile.
What is the SMILES notation for 4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile?
The canonical SMILES for 4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile is Cc1ccc(C#N)cc1Nc1cn[nH]c1.
What is the InChIKey of 4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile?
The InChIKey is HPZLLMPUSCTFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-2-3-9(5-12)4-11(8)15-10-6-13-14-7-10/h2-4,6-7,15H,1H3,(H,13,14).
What are the key properties of 4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile?
4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile has a molecular weight of 198.23 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1H-pyrazol-4-ylamino)benzonitrile is sourced from PubChem (CID 125449573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).