1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide

C17H21FN4O3S — CID 20851628

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C17H21FN4O3S/c1-11-16(12(2)21-20-11)26(24,25)22-8-6-13(7-9-22)17(23)19-15-5-3-4-14(18)10-15/h3-5,10,13H,6-9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyJCLQZOHOUAPNEF-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.21
Rot. Bonds4

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 20851628) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID20851628
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C17H21FN4O3S/c1-11-16(12(2)21-20-11)26(24,25)22-8-6-13(7-9-22)17(23)19-15-5-3-4-14(18)10-15/h3-5,10,13H,6-9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyJCLQZOHOUAPNEF-UHFFFAOYSA-N
XLogP2.21
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3240778
N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 15990918
N-(4-bromophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 15990920
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-fluorobenzyl)piperidine-3-carboxamide
CID 16194404
N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307629
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 15990922
3-[3,5-Dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-YL]-N-(4-fluoro-2-methylphenyl)propanamide
CID 16027763
N-(2,4-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 20851631
N-(3-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20855619
1-({1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl}carbonyl)indoline
CID 3236961
N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 6602867
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 9550283

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 20851628) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is JCLQZOHOUAPNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-11-16(12(2)21-20-11)26(24,25)22-8-6-13(7-9-22)17(23)19-15-5-3-4-14(18)10-15/h3-5,10,13H,6-9H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 20851628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).