2-amino-5-(3-methylpyrazol-1-yl)benzonitrile

C11H10N4 — CID 115499706

IUPAC2-amino-5-(3-methylpyrazol-1-yl)benzonitrile
SMILESCc1ccn(-c2ccc(N)c(C#N)c2)n1
InChIInChI=1S/C11H10N4/c1-8-4-5-15(14-8)10-2-3-11(13)9(6-10)7-12/h2-6H,13H2,1H3
InChIKeyHSZRMCLXXFTHJE-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.63
Rot. Bonds1

About 2-amino-5-(3-methylpyrazol-1-yl)benzonitrile

2-amino-5-(3-methylpyrazol-1-yl)benzonitrile (PubChem CID 115499706) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-amino-5-(3-methylpyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name2-amino-5-(3-methylpyrazol-1-yl)benzonitrile
PubChem CID115499706
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name2-amino-5-(3-methylpyrazol-1-yl)benzonitrile
SMILESCc1ccn(-c2ccc(N)c(C#N)c2)n1
InChIInChI=1S/C11H10N4/c1-8-4-5-15(14-8)10-2-3-11(13)9(6-10)7-12/h2-6H,13H2,1H3
InChIKeyHSZRMCLXXFTHJE-UHFFFAOYSA-N
XLogP1.63
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-5-(3-methylpyrazol-1-yl)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

2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile
CID 115499705
1-(4-amino-3-cyanophenyl)-1,2,4-triazole-3-carbonitrile
CID 115499708
1-(4-amino-3-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 115499714
1-(3,4-dimethylphenyl)-3-methylpyrazole
CID 90368021
5-(3-methylpyrazol-1-yl)pyridin-2-amine
CID 66521435
ethane;3-methyl-1-(4-methylphenyl)pyrazole
CID 123320873
2-amino-5-(4,4-dimethylpiperidin-1-yl)benzonitrile
CID 113323967
3-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile
CID 114287793
2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)benzonitrile
CID 62487089
[4-(3-methylpyrazol-1-yl)phenyl]methanamine
CID 19627295
1-(4-tert-butylphenyl)-3-methylpyrazole
CID 155445813
(1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 63369256

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-methylpyrazol-1-yl)benzonitrile?
The IUPAC name of 2-amino-5-(3-methylpyrazol-1-yl)benzonitrile (CID 115499706) is 2-amino-5-(3-methylpyrazol-1-yl)benzonitrile.
What is the SMILES notation for 2-amino-5-(3-methylpyrazol-1-yl)benzonitrile?
The canonical SMILES for 2-amino-5-(3-methylpyrazol-1-yl)benzonitrile is Cc1ccn(-c2ccc(N)c(C#N)c2)n1.
What is the InChIKey of 2-amino-5-(3-methylpyrazol-1-yl)benzonitrile?
The InChIKey is HSZRMCLXXFTHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-4-5-15(14-8)10-2-3-11(13)9(6-10)7-12/h2-6H,13H2,1H3.
What are the key properties of 2-amino-5-(3-methylpyrazol-1-yl)benzonitrile?
2-amino-5-(3-methylpyrazol-1-yl)benzonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-methylpyrazol-1-yl)benzonitrile is sourced from PubChem (CID 115499706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).