(4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone

C15H15F2N3O — CID 74233516

IUPAC(4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2cn[nH]c2)c1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H15F2N3O/c16-15(17)4-6-20(7-5-15)14(21)12-3-1-2-11(8-12)13-9-18-19-10-13/h1-3,8-10H,4-7H2,(H,18,19)
InChIKeyNTIUKYINUIFGHA-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.95
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone

(4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone (PubChem CID 74233516) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
PubChem CID74233516
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name(4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2cn[nH]c2)c1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H15F2N3O/c16-15(17)4-6-20(7-5-15)14(21)12-3-1-2-11(8-12)13-9-18-19-10-13/h1-3,8-10H,4-7H2,(H,18,19)
InChIKeyNTIUKYINUIFGHA-UHFFFAOYSA-N
XLogP2.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone (CID 74233516) is (4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone is O=C(c1cccc(-c2cn[nH]c2)c1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone?
The InChIKey is NTIUKYINUIFGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c16-15(17)4-6-20(7-5-15)14(21)12-3-1-2-11(8-12)13-9-18-19-10-13/h1-3,8-10H,4-7H2,(H,18,19).
What are the key properties of (4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone?
(4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone has a molecular weight of 291.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone is sourced from PubChem (CID 74233516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).