N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

C21H21ClN4O2 — CID 55957523

IUPACN-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC(=O)Nc2ccccc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN4O2/c1-14(2)20-18(12-24-26(20)17-10-8-15(22)9-11-17)21(28)23-13-19(27)25-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyAFOSCZXBTCKKBJ-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.02
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55957523) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID55957523
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC(=O)Nc2ccccc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN4O2/c1-14(2)20-18(12-24-26(20)17-10-8-15(22)9-11-17)21(28)23-13-19(27)25-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyAFOSCZXBTCKKBJ-UHFFFAOYSA-N
XLogP4.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
N-(3,5-dichlorophenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-yl-1H-pyrazole-4-carboxamide
CID 16194080
2-(4-chlorophenyl)-5-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46189848
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolecarboxamide
CID 2747052
hCB1 Inhibitor, 2{1,1,1}
CID 11306424
hCB1 Inhibitor, 2{6,1,1}
CID 11475910
N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1490704
N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850671
N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850684
5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2324595
N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-chloro-N-ethyl-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 16292836

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 55957523) is N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NCC(=O)Nc2ccccc2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is AFOSCZXBTCKKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14(2)20-18(12-24-26(20)17-10-8-15(22)9-11-17)21(28)23-13-19(27)25-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,28)(H,25,27).
What are the key properties of N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55957523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).