N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide

C17H21ClN4O3S — CID 83273764

IUPACN-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(Cl)c2)c(S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C17H21ClN4O3S/c1-2-21-12-15(16(23)19-14-8-6-7-13(18)11-14)17(20-21)26(24,25)22-9-4-3-5-10-22/h6-8,11-12H,2-5,9-10H2,1H3,(H,19,23)
InChIKeyFVIIGSHAZKFUKK-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.98
Rot. Bonds5

About N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide

N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide (PubChem CID 83273764) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
PubChem CID83273764
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC NameN-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(Cl)c2)c(S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C17H21ClN4O3S/c1-2-21-12-15(16(23)19-14-8-6-7-13(18)11-14)17(20-21)26(24,25)22-9-4-3-5-10-22/h6-8,11-12H,2-5,9-10H2,1H3,(H,19,23)
InChIKeyFVIIGSHAZKFUKK-UHFFFAOYSA-N
XLogP2.98
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(azepan-1-ylsulfonyl)-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 53143029
3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide
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methyl 3-[[3-(azepan-1-ylsulfonyl)-1-methylpyrazole-4-carbonyl]amino]benzoate
CID 53142997
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide
CID 53142711
3-(azepan-1-ylsulfonyl)-N-(3,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 53143001
4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
CID 2665161
1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide
CID 53142973
[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazol-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 53336612
N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
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N-(3-chlorophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide (CID 83273764) is N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cccc(Cl)c2)c(S(=O)(=O)N2CCCCC2)n1.
What is the InChIKey of N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
The InChIKey is FVIIGSHAZKFUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c1-2-21-12-15(16(23)19-14-8-6-7-13(18)11-14)17(20-21)26(24,25)22-9-4-3-5-10-22/h6-8,11-12H,2-5,9-10H2,1H3,(H,19,23).
What are the key properties of N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 83273764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).