[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol

C14H15ClF2N4O — CID 118450408

IUPAC[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol
SMILESOCC1CCN(c2cnccc2-n2cc(Cl)cn2)CC1(F)F
InChIInChI=1S/C14H15ClF2N4O/c15-11-5-19-21(7-11)12-1-3-18-6-13(12)20-4-2-10(8-22)14(16,17)9-20/h1,3,5-7,10,22H,2,4,8-9H2
InChIKeyJRBJLVCNWPLUAN-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.37
Rot. Bonds3

About [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol

[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol (PubChem CID 118450408) has the molecular formula C14H15ClF2N4O and a molecular weight of 328.75 g/mol. Its IUPAC name is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol
PubChem CID118450408
Molecular FormulaC14H15ClF2N4O
Molecular Weight328.75 g/mol
Exact Mass328.09
IUPAC Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol
SMILESOCC1CCN(c2cnccc2-n2cc(Cl)cn2)CC1(F)F
InChIInChI=1S/C14H15ClF2N4O/c15-11-5-19-21(7-11)12-1-3-18-6-13(12)20-4-2-10(8-22)14(16,17)9-20/h1,3,5-7,10,22H,2,4,8-9H2
InChIKeyJRBJLVCNWPLUAN-UHFFFAOYSA-N
XLogP2.37
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450730
US9963443, Reference Example 5
CID 76283990
2-[1-(4-aminopyridin-3-yl)-1H-pyrazol-4-yl]ethanol
CID 50961215
2-[1-(4-methylpyridin-3-yl)-1H-pyrazol-4-yl]ethanol
CID 50963099
(1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)piperidin-4-yl)((3S)-3-fluoropyrrolidin-1-yl)methanone
CID 76283991
[1-[4-(4-Chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone
CID 129066107
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N,3-dimethylbutanamide
CID 89884499
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N,2-dimethylbutanamide
CID 89884586
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 118022936
N-(3-chloro-1-(pyridin-3-yl)-1H-pyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl) piperidine-4-carboxamide
CID 118022995
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxamide
CID 118023707
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 118032708

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol?
The IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol (CID 118450408) is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol is OCC1CCN(c2cnccc2-n2cc(Cl)cn2)CC1(F)F.
What is the InChIKey of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol?
The InChIKey is JRBJLVCNWPLUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N4O/c15-11-5-19-21(7-11)12-1-3-18-6-13(12)20-4-2-10(8-22)14(16,17)9-20/h1,3,5-7,10,22H,2,4,8-9H2.
What are the key properties of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol?
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol has a molecular weight of 328.75 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]methanol is sourced from PubChem (CID 118450408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).