N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide

C19H25FN4O3S — CID 146088881

IUPACN-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1
InChIInChI=1S/C19H25FN4O3S/c1-3-10-28(26,27)24-9-5-4-6-18(24)19(25)22-15-7-8-17(16(20)11-15)23-13-14(2)12-21-23/h7-8,11-13,18H,3-6,9-10H2,1-2H3,(H,22,25)
InChIKeyHWRUYCJHEQMZIB-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.85
Rot. Bonds6

About N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide

N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 146088881) has the molecular formula C19H25FN4O3S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID146088881
Molecular FormulaC19H25FN4O3S
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC NameN-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1
InChIInChI=1S/C19H25FN4O3S/c1-3-10-28(26,27)24-9-5-4-6-18(24)19(25)22-15-7-8-17(16(20)11-15)23-13-14(2)12-21-23/h7-8,11-13,18H,3-6,9-10H2,1-2H3,(H,22,25)
InChIKeyHWRUYCJHEQMZIB-UHFFFAOYSA-N
XLogP2.85
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55916654
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 119330858
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491129
(2S)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491130
4-[[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122085082
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241414
N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55819863
(2S)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962243
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437782
2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride
CID 119796623

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide (CID 146088881) is N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is HWRUYCJHEQMZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3S/c1-3-10-28(26,27)24-9-5-4-6-18(24)19(25)22-15-7-8-17(16(20)11-15)23-13-14(2)12-21-23/h7-8,11-13,18H,3-6,9-10H2,1-2H3,(H,22,25).
What are the key properties of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide?
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 146088881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).