3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide

C14H17N3O — CID 54944517

IUPAC3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C14H17N3O/c1-9-5-4-6-12(7-9)8-15-14(18)13-10(2)16-17-11(13)3/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyUMVLHQWSQQTFGQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.26
Rot. Bonds3

About 3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 54944517) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID54944517
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C14H17N3O/c1-9-5-4-6-12(7-9)8-15-14(18)13-10(2)16-17-11(13)3/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyUMVLHQWSQQTFGQ-UHFFFAOYSA-N
XLogP2.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583060
3,5-dimethyl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 61260778
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099051
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 111107196
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077427
3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 70796334

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 54944517) is 3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide is Cc1cccc(CNC(=O)c2c(C)n[nH]c2C)c1.
What is the InChIKey of 3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is UMVLHQWSQQTFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-5-4-6-12(7-9)8-15-14(18)13-10(2)16-17-11(13)3/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54944517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).