N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide

C19H17ClN4O2 — CID 49160152

IUPACN-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C19H17ClN4O2/c1-23(13-18(25)22-15-7-3-2-4-8-15)19(26)14-11-21-24(12-14)17-10-6-5-9-16(17)20/h2-12H,13H2,1H3,(H,22,25)
InChIKeySVCNFIOYRXKSHP-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.24
Rot. Bonds5

About N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide

N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide (PubChem CID 49160152) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide
PubChem CID49160152
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C19H17ClN4O2/c1-23(13-18(25)22-15-7-3-2-4-8-15)19(26)14-11-21-24(12-14)17-10-6-5-9-16(17)20/h2-12H,13H2,1H3,(H,22,25)
InChIKeySVCNFIOYRXKSHP-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

N-(2-anilino-2-oxoethyl)-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55760807
1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyrazole-4-carboxamide
CID 34391952
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide
CID 111596778
N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
CID 56819330
N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 75481972
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
CID 103752363
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea
CID 111458977
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide (CID 49160152) is N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)c1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide?
The InChIKey is SVCNFIOYRXKSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-23(13-18(25)22-15-7-3-2-4-8-15)19(26)14-11-21-24(12-14)17-10-6-5-9-16(17)20/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide?
N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-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-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 49160152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).