N-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide

C14H16N4O2 — CID 170223675

IUPACN-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCNC(=O)CNC(=O)c1cc(-c2ccccc2C)n[nH]1
InChIInChI=1S/C14H16N4O2/c1-9-5-3-4-6-10(9)11-7-12(18-17-11)14(20)16-8-13(19)15-2/h3-7H,8H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyKPGXQPCHFKQBMM-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.86
Rot. Bonds4

About N-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide

N-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 170223675) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID170223675
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCNC(=O)CNC(=O)c1cc(-c2ccccc2C)n[nH]1
InChIInChI=1S/C14H16N4O2/c1-9-5-3-4-6-10(9)11-7-12(18-17-11)14(20)16-8-13(19)15-2/h3-7H,8H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyKPGXQPCHFKQBMM-UHFFFAOYSA-N
XLogP0.86
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide
CID 166225953
N-[(2S)-3-(3-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 170223677
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51046542
3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide
CID 112770772
N-[2-(methylamino)-2-oxoethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261659
N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136554520
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135675392
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90549359
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135555084

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide (CID 170223675) is N-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide is CNC(=O)CNC(=O)c1cc(-c2ccccc2C)n[nH]1.
What is the InChIKey of N-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KPGXQPCHFKQBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-5-3-4-6-10(9)11-7-12(18-17-11)14(20)16-8-13(19)15-2/h3-7H,8H2,1-2H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of N-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide?
N-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxoethyl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 170223675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).