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

C17H19F3N4O — CID 125169507

IUPAC1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)c1ccn(C(F)F)n1
InChIInChI=1S/C17H19F3N4O/c18-13-5-3-12(4-6-13)15(23-8-1-2-9-23)11-21-16(25)14-7-10-24(22-14)17(19)20/h3-7,10,15,17H,1-2,8-9,11H2,(H,21,25)/t15-/m1/s1
InChIKeyNGEQGWQYCRLUGO-OAHLLOKOSA-N
MW352.36 g/mol
LogP2.98
Rot. Bonds6

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

1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide (PubChem CID 125169507) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide
PubChem CID125169507
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)c1ccn(C(F)F)n1
InChIInChI=1S/C17H19F3N4O/c18-13-5-3-12(4-6-13)15(23-8-1-2-9-23)11-21-16(25)14-7-10-24(22-14)17(19)20/h3-7,10,15,17H,1-2,8-9,11H2,(H,21,25)/t15-/m1/s1
InChIKeyNGEQGWQYCRLUGO-OAHLLOKOSA-N
XLogP2.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide
CID 46957347
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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-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
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
6-amino-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 91834380
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
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 96577979
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide (CID 125169507) is 1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide is O=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide?
The InChIKey is NGEQGWQYCRLUGO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19F3N4O/c18-13-5-3-12(4-6-13)15(23-8-1-2-9-23)11-21-16(25)14-7-10-24(22-14)17(19)20/h3-7,10,15,17H,1-2,8-9,11H2,(H,21,25)/t15-/m1/s1.
What are the key properties of 1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 125169507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).