N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide

C20H18ClN3O2 — CID 31884775

IUPACN-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(C(C)=O)c2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O2/c1-3-19-18(12-22-24(19)17-9-5-7-15(21)11-17)20(26)23-16-8-4-6-14(10-16)13(2)25/h4-12H,3H2,1-2H3,(H,23,26)
InChIKeyFVEHEQKDHTUTCK-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.54
Rot. Bonds5

About N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide

N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide (PubChem CID 31884775) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
PubChem CID31884775
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(C(C)=O)c2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O2/c1-3-19-18(12-22-24(19)17-9-5-7-15(21)11-17)20(26)23-16-8-4-6-14(10-16)13(2)25/h4-12H,3H2,1-2H3,(H,23,26)
InChIKeyFVEHEQKDHTUTCK-UHFFFAOYSA-N
XLogP4.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 46400590
1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide
CID 55864191
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 52655877
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46589750
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369
1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 46589327
2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78852602
1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
CID 32953030
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119639884

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide (CID 31884775) is N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2cccc(C(C)=O)c2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
The InChIKey is FVEHEQKDHTUTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-3-19-18(12-22-24(19)17-9-5-7-15(21)11-17)20(26)23-16-8-4-6-14(10-16)13(2)25/h4-12H,3H2,1-2H3,(H,23,26).
What are the key properties of N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 31884775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).