N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide

C19H17ClN4O2 — CID 51122600

IUPACN-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H17ClN4O2/c1-23(13-18(25)21-15-7-3-2-4-8-15)19(26)17-10-11-24(22-17)16-9-5-6-14(20)12-16/h2-12H,13H2,1H3,(H,21,25)
InChIKeyAAMDIPCQROKSJW-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.24
Rot. Bonds5

About N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide

N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide (PubChem CID 51122600) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide
PubChem CID51122600
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H17ClN4O2/c1-23(13-18(25)21-15-7-3-2-4-8-15)19(26)17-10-11-24(22-17)16-9-5-6-14(20)12-16/h2-12H,13H2,1H3,(H,21,25)
InChIKeyAAMDIPCQROKSJW-UHFFFAOYSA-N
XLogP3.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-[[2-[benzoyl(methyl)amino]acetyl]amino]phenyl]pyrazole-3-carboxylate
CID 55688446
N-[2-(3-chloroanilino)-2-oxoethyl]-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 33287591
1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 55653979
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552
1-tert-butyl-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 55777899
1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide
CID 55925389
1-benzyl-5-chloro-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethylpyrazole-4-carboxamide
CID 33287131
1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55929884
1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882488
1-(3-chlorophenyl)-N-cyclopropyl-N-(4-methylcyclohexyl)pyrazole-3-carboxamide
CID 55924760
1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78873289
1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide
CID 154858723

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide (CID 51122600) is N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is AAMDIPCQROKSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-23(13-18(25)21-15-7-3-2-4-8-15)19(26)17-10-11-24(22-17)16-9-5-6-14(20)12-16/h2-12H,13H2,1H3,(H,21,25).
What are the key properties of N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide?
N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 51122600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).