N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C17H21FN4O3S — CID 126796006

IUPACN-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCS(=O)(=O)Cc1ccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)cc1F
InChIInChI=1S/C17H21FN4O3S/c1-26(24,25)11-13-2-3-14(10-15(13)18)20-17(23)22-8-5-12(6-9-22)16-4-7-19-21-16/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,19,21)(H,20,23)
InChIKeyULELACAUSOYPHR-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.50
Rot. Bonds4

About N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 126796006) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID126796006
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC NameN-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCS(=O)(=O)Cc1ccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)cc1F
InChIInChI=1S/C17H21FN4O3S/c1-26(24,25)11-13-2-3-14(10-15(13)18)20-17(23)22-8-5-12(6-9-22)16-4-7-19-21-16/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,19,21)(H,20,23)
InChIKeyULELACAUSOYPHR-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 71970733
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126788238
N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 99713395
N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 72895536
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 99697397
3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide
CID 75426435
N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 154801582
N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166207366
N-(2-piperidin-4-ylethyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 167989838
N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 75442625
N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 118762325

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 126796006) is N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is CS(=O)(=O)Cc1ccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)cc1F.
What is the InChIKey of N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ULELACAUSOYPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-26(24,25)11-13-2-3-14(10-15(13)18)20-17(23)22-8-5-12(6-9-22)16-4-7-19-21-16/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,19,21)(H,20,23).
What are the key properties of N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126796006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).