N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide

C12H14N4O — CID 62920449

IUPACN-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C12H14N4O/c1-16-11(6-7-14-16)12(17)15-10-4-2-9(8-13)3-5-10/h2-7H,8,13H2,1H3,(H,15,17)
InChIKeyXDXZHQVJZAORDR-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.13
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide

N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 62920449) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
PubChem CID62920449
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C12H14N4O/c1-16-11(6-7-14-16)12(17)15-10-4-2-9(8-13)3-5-10/h2-7H,8,13H2,1H3,(H,15,17)
InChIKeyXDXZHQVJZAORDR-UHFFFAOYSA-N
XLogP1.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide 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

N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 54898037
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727
N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
CID 143736816
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 91945696
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742269
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 63359488

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide (CID 62920449) is N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is XDXZHQVJZAORDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-11(6-7-14-16)12(17)15-10-4-2-9(8-13)3-5-10/h2-7H,8,13H2,1H3,(H,15,17).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide?
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 62920449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).