N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C16H19FN4O2S — CID 154801582

IUPACN-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCS(=O)c1ccc(NC(=O)N2CCCCC2c2ccn[nH]2)cc1F
InChIInChI=1S/C16H19FN4O2S/c1-24(23)15-6-5-11(10-12(15)17)19-16(22)21-9-3-2-4-14(21)13-7-8-18-20-13/h5-8,10,14H,2-4,9H2,1H3,(H,18,20)(H,19,22)
InChIKeyZNSXQYPQEALPMN-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.05
Rot. Bonds3

About N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 154801582) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID154801582
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC NameN-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCS(=O)c1ccc(NC(=O)N2CCCCC2c2ccn[nH]2)cc1F
InChIInChI=1S/C16H19FN4O2S/c1-24(23)15-6-5-11(10-12(15)17)19-16(22)21-9-3-2-4-14(21)13-7-8-18-20-13/h5-8,10,14H,2-4,9H2,1H3,(H,18,20)(H,19,22)
InChIKeyZNSXQYPQEALPMN-UHFFFAOYSA-N
XLogP3.05
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide
CID 75394550
(3R)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-3-methylsulfanylazepane-1-carboxamide
CID 124591823
N-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 154795512
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
(2S,3R)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-2,3-dimethylthiomorpholine-4-carboxamide
CID 97232295
N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124985015
tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 75817647
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125002293
(2S)-N-(3-fluoro-4-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 92503204
N-(5-morpholin-4-yl-2-pyridinyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 154797133
(2R)-N-(3-fluoro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550933
2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124966203

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 154801582) is N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide is CS(=O)c1ccc(NC(=O)N2CCCCC2c2ccn[nH]2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ZNSXQYPQEALPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-24(23)15-6-5-11(10-12(15)17)19-16(22)21-9-3-2-4-14(21)13-7-8-18-20-13/h5-8,10,14H,2-4,9H2,1H3,(H,18,20)(H,19,22).
What are the key properties of N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154801582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).