1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide

C18H21F3N4O — CID 46957347

IUPAC1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCCCC1)c1ccn(C(F)F)n1
InChIInChI=1S/C18H21F3N4O/c19-14-6-4-13(5-7-14)16(24-9-2-1-3-10-24)12-22-17(26)15-8-11-25(23-15)18(20)21/h4-8,11,16,18H,1-3,9-10,12H2,(H,22,26)
InChIKeyNWXYWKGPBHTRCC-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.37
Rot. Bonds6

About 1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide (PubChem CID 46957347) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide
PubChem CID46957347
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCCCC1)c1ccn(C(F)F)n1
InChIInChI=1S/C18H21F3N4O/c19-14-6-4-13(5-7-14)16(24-9-2-1-3-10-24)12-22-17(26)15-8-11-25(23-15)18(20)21/h4-8,11,16,18H,1-3,9-10,12H2,(H,22,26)
InChIKeyNWXYWKGPBHTRCC-UHFFFAOYSA-N
XLogP3.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide
CID 125169507
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 118782996
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232
6-amino-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 91834380
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72879927
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97144404
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyridine-4-carboxamide
CID 118794898
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110623869
1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46512755

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide (CID 46957347) is 1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide is O=C(NCC(c1ccc(F)cc1)N1CCCCC1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide?
The InChIKey is NWXYWKGPBHTRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c19-14-6-4-13(5-7-14)16(24-9-2-1-3-10-24)12-22-17(26)15-8-11-25(23-15)18(20)21/h4-8,11,16,18H,1-3,9-10,12H2,(H,22,26).
What are the key properties of 1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 46957347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).