[1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone

C16H24F2N4O — CID 97191887

IUPAC[1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccn(C(F)F)n1)N1CCC[C@H](CN2CCCCC2)C1
InChIInChI=1S/C16H24F2N4O/c17-16(18)22-10-6-14(19-22)15(23)21-9-4-5-13(12-21)11-20-7-2-1-3-8-20/h6,10,13,16H,1-5,7-9,11-12H2/t13-/m1/s1
InChIKeyQJUBHEZDQZLLKU-CYBMUJFWSA-N
MW326.39 g/mol
LogP2.62
Rot. Bonds4

About [1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone

[1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 97191887) has the molecular formula C16H24F2N4O and a molecular weight of 326.39 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID97191887
Molecular FormulaC16H24F2N4O
Molecular Weight326.39 g/mol
Exact Mass326.19
IUPAC Name[1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccn(C(F)F)n1)N1CCC[C@H](CN2CCCCC2)C1
InChIInChI=1S/C16H24F2N4O/c17-16(18)22-10-6-14(19-22)15(23)21-9-4-5-13(12-21)11-20-7-2-1-3-8-20/h6,10,13,16H,1-5,7-9,11-12H2/t13-/m1/s1
InChIKeyQJUBHEZDQZLLKU-CYBMUJFWSA-N
XLogP2.62
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone (CID 97191887) is [1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccn(C(F)F)n1)N1CCC[C@H](CN2CCCCC2)C1.
What is the InChIKey of [1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is QJUBHEZDQZLLKU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24F2N4O/c17-16(18)22-10-6-14(19-22)15(23)21-9-4-5-13(12-21)11-20-7-2-1-3-8-20/h6,10,13,16H,1-5,7-9,11-12H2/t13-/m1/s1.
What are the key properties of [1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
[1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 326.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97191887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).