(2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone

C16H23F2N3O — CID 119050431

IUPAC(2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccnn1CC(F)F)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H23F2N3O/c17-15(18)11-21-14(8-9-19-21)16(22)20-10-4-7-13(20)12-5-2-1-3-6-12/h8-9,12-13,15H,1-7,10-11H2
InChIKeySEFCAHRVMFTROY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.33
Rot. Bonds4

About (2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone

(2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone (PubChem CID 119050431) has the molecular formula C16H23F2N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is (2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone
PubChem CID119050431
Molecular FormulaC16H23F2N3O
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccnn1CC(F)F)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H23F2N3O/c17-15(18)11-21-14(8-9-19-21)16(22)20-10-4-7-13(20)12-5-2-1-3-6-12/h8-9,12-13,15H,1-7,10-11H2
InChIKeySEFCAHRVMFTROY-UHFFFAOYSA-N
XLogP3.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-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

Related Compounds

[2-(2,2-difluoroethyl)pyrazol-3-yl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 124885688
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63979551
(2-cyclopentylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63978793
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(1-methylpyrazol-4-yl)methanone
CID 42919961
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115497518
[(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 92632713
(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone
CID 110871773
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-chloro-4-hydroxyphenyl)methanone
CID 43422703
(2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone
CID 107027342
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323386
1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone
CID 95334900

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone?
The IUPAC name of (2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone (CID 119050431) is (2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone?
The canonical SMILES for (2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone is O=C(c1ccnn1CC(F)F)N1CCCC1C1CCCCC1.
What is the InChIKey of (2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone?
The InChIKey is SEFCAHRVMFTROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O/c17-15(18)11-21-14(8-9-19-21)16(22)20-10-4-7-13(20)12-5-2-1-3-6-12/h8-9,12-13,15H,1-7,10-11H2.
What are the key properties of (2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone?
(2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 119050431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).