[1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone

C16H18F2N4O2 — CID 118787751

IUPAC[1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccn(C(F)F)n3)CC2)nc1
InChIInChI=1S/C16H18F2N4O2/c1-11-2-3-13(19-10-11)16(24)5-8-21(9-6-16)14(23)12-4-7-22(20-12)15(17)18/h2-4,7,10,15,24H,5-6,8-9H2,1H3
InChIKeySJAQYZACBZZWGL-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.11
Rot. Bonds3

About [1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone

[1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 118787751) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID118787751
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name[1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccn(C(F)F)n3)CC2)nc1
InChIInChI=1S/C16H18F2N4O2/c1-11-2-3-13(19-10-11)16(24)5-8-21(9-6-16)14(23)12-4-7-22(20-12)15(17)18/h2-4,7,10,15,24H,5-6,8-9H2,1H3
InChIKeySJAQYZACBZZWGL-UHFFFAOYSA-N
XLogP2.11
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-hydroxy-1-(pyridin-2-yl)propyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665639
US10155750, Example 36
CID 121440243
N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379775
N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide
CID 168924003
US10239838, Example 12
CID 121414049
US10155750, Example 44
CID 121440226
N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 46965072
(2-Methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone
CID 102604310
3-Benzyl-4-methyl-8-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134810770
2-Pyrazolin-5-ol, 3-trifluoromethyl-5-(3-pyridyl)-1-(2-pyridylcarbonyl)-
CID 556002
N-[2-[2-(1-hydroxyethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177049993
N-[(4S)-2-[2-(hydroxymethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177050010

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (CID 118787751) is [1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is Cc1ccc(C2(O)CCN(C(=O)c3ccn(C(F)F)n3)CC2)nc1.
What is the InChIKey of [1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is SJAQYZACBZZWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-11-2-3-13(19-10-11)16(24)5-8-21(9-6-16)14(23)12-4-7-22(20-12)15(17)18/h2-4,7,10,15,24H,5-6,8-9H2,1H3.
What are the key properties of [1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
[1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 336.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)pyrazol-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118787751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).