4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide

C13H16N4O — CID 55178020

IUPAC4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1[nH]ncc1N
InChIInChI=1S/C13H16N4O/c1-9-5-3-4-6-10(9)8-17(2)13(18)12-11(14)7-15-16-12/h3-7H,8,14H2,1-2H3,(H,15,16)
InChIKeySVYVQFWNENENCP-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.57
Rot. Bonds3

About 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide

4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 55178020) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID55178020
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1[nH]ncc1N
InChIInChI=1S/C13H16N4O/c1-9-5-3-4-6-10(9)8-17(2)13(18)12-11(14)7-15-16-12/h3-7H,8,14H2,1-2H3,(H,15,16)
InChIKeySVYVQFWNENENCP-UHFFFAOYSA-N
XLogP1.57
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-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

4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55161300
4-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102134
4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55179183
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63101793
4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63103405
4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide
CID 63102288
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102864
4-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 63107047
3-amino-N-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094457
ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate
CID 63103255
4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 55178986

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 55178020) is 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide is Cc1ccccc1CN(C)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is SVYVQFWNENENCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-5-3-4-6-10(9)8-17(2)13(18)12-11(14)7-15-16-12/h3-7H,8,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55178020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).