(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone

C15H15F2N3O — CID 139027277

IUPAC(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccn2)c1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H15F2N3O/c16-15(17)5-9-19(10-6-15)14(21)12-3-1-4-13(11-12)20-8-2-7-18-20/h1-4,7-8,11H,5-6,9-10H2
InChIKeyAIVLHKZNAZRZTM-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.74
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone

(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone (PubChem CID 139027277) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
PubChem CID139027277
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccn2)c1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H15F2N3O/c16-15(17)5-9-19(10-6-15)14(21)12-3-1-4-13(11-12)20-8-2-7-18-20/h1-4,7-8,11H,5-6,9-10H2
InChIKeyAIVLHKZNAZRZTM-UHFFFAOYSA-N
XLogP2.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide
CID 169419360
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CID 97189447
(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110090789
(3-pyrazol-1-ylphenyl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 70764717
(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70745005
(3-pyrazol-1-ylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337319
(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524
1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 126768644
(3-pyrazol-1-ylphenyl)-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone
CID 126853262
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 124576728
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 124689004
(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(3-pyrazol-1-ylphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone (CID 139027277) is (4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone is O=C(c1cccc(-n2cccn2)c1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone?
The InChIKey is AIVLHKZNAZRZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c16-15(17)5-9-19(10-6-15)14(21)12-3-1-4-13(11-12)20-8-2-7-18-20/h1-4,7-8,11H,5-6,9-10H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone?
(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone has a molecular weight of 291.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 139027277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).