N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C15H18N4O2 — CID 61274560

IUPACN-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C15H18N4O2/c1-8-7-12(5-6-13(8)16-11(4)20)17-15(21)14-9(2)18-19-10(14)3/h5-7H,1-4H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyJGSUEIQFCWRVCV-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.55
Rot. Bonds3

About N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 61274560) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID61274560
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C15H18N4O2/c1-8-7-12(5-6-13(8)16-11(4)20)17-15(21)14-9(2)18-19-10(14)3/h5-7H,1-4H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyJGSUEIQFCWRVCV-UHFFFAOYSA-N
XLogP2.55
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582476
methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate
CID 61260356
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 43583203
N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113366853
N-(2,3-dihydro-1H-indol-5-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 63253113
N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582492
N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259853
3,5-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 43583048
N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 146021959
N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582482

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 61274560) is N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2c(C)n[nH]c2C)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is JGSUEIQFCWRVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-8-7-12(5-6-13(8)16-11(4)20)17-15(21)14-9(2)18-19-10(14)3/h5-7H,1-4H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61274560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).