N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide

C16H20ClN3O — CID 46671572

IUPACN-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)CC)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3O/c1-4-11(3)19-16(21)14-10-18-20(15(14)5-2)13-8-6-7-12(17)9-13/h6-11H,4-5H2,1-3H3,(H,19,21)
InChIKeyOJLIGSJFBJHKJJ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.62
Rot. Bonds5

About N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide

N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide (PubChem CID 46671572) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
PubChem CID46671572
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)CC)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3O/c1-4-11(3)19-16(21)14-10-18-20(15(14)5-2)13-8-6-7-12(17)9-13/h6-11H,4-5H2,1-3H3,(H,19,21)
InChIKeyOJLIGSJFBJHKJJ-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369
1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46589414
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
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
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55596234
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31853159
1-[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 52654373
1-(3-chlorophenyl)-5-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 31900386
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55798341

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide (CID 46671572) is N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)NC(C)CC)cnn1-c1cccc(Cl)c1.
What is the InChIKey of N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
The InChIKey is OJLIGSJFBJHKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-11(3)19-16(21)14-10-18-20(15(14)5-2)13-8-6-7-12(17)9-13/h6-11H,4-5H2,1-3H3,(H,19,21).
What are the key properties of N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 46671572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).