5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide

C14H16N4O2 — CID 63998435

IUPAC5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cn[nH]c2C)c1
InChIInChI=1S/C14H16N4O2/c1-8-4-5-10(13(19)15-3)6-12(8)17-14(20)11-7-16-18-9(11)2/h4-7H,1-3H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyQLQDIHHZASAWQU-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.64
Rot. Bonds3

About 5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide

5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 63998435) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID63998435
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cn[nH]c2C)c1
InChIInChI=1S/C14H16N4O2/c1-8-4-5-10(13(19)15-3)6-12(8)17-14(20)11-7-16-18-9(11)2/h4-7H,1-3H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyQLQDIHHZASAWQU-UHFFFAOYSA-N
XLogP1.64
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63997003
N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63939091
6-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46439271
methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63998429
N-(3-iodo-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63997812
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 104727965
5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 107246307
N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998634
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103754876
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide (CID 63998435) is 5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide is CNC(=O)c1ccc(C)c(NC(=O)c2cn[nH]c2C)c1.
What is the InChIKey of 5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is QLQDIHHZASAWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-4-5-10(13(19)15-3)6-12(8)17-14(20)11-7-16-18-9(11)2/h4-7H,1-3H3,(H,15,19)(H,16,18)(H,17,20).
What are the key properties of 5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide?
5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63998435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).