[(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone

C16H22F4N4O — CID 166280859

IUPAC[(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(CCN2CCCCC2)c1)N1C[C@@H](F)C[C@@H]1C(F)(F)F
InChIInChI=1S/C16H22F4N4O/c17-13-8-14(16(18,19)20)24(11-13)15(25)12-9-21-23(10-12)7-6-22-4-2-1-3-5-22/h9-10,13-14H,1-8,11H2/t13-,14+/m0/s1
InChIKeyCVPVMDDTNLYKEV-UONOGXRCSA-N
MW362.37 g/mol
LogP2.48
Rot. Bonds4

About [(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone

[(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone (PubChem CID 166280859) has the molecular formula C16H22F4N4O and a molecular weight of 362.37 g/mol. Its IUPAC name is [(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
PubChem CID166280859
Molecular FormulaC16H22F4N4O
Molecular Weight362.37 g/mol
Exact Mass362.17
IUPAC Name[(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(CCN2CCCCC2)c1)N1C[C@@H](F)C[C@@H]1C(F)(F)F
InChIInChI=1S/C16H22F4N4O/c17-13-8-14(16(18,19)20)24(11-13)15(25)12-9-21-23(10-12)7-6-22-4-2-1-3-5-22/h9-10,13-14H,1-8,11H2/t13-,14+/m0/s1
InChIKeyCVPVMDDTNLYKEV-UONOGXRCSA-N
XLogP2.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-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

US11142526, Example 70
CID 137533174
US11142526, Example 71
CID 137533220
3,3,3-Trifluoro-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 56779110
1-[[1-(1-Methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258819
1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 56786527
1-(4-Ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 56802675
(1-Cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 71927914
(1-Cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
CID 71931829
2-Azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
CID 84584079
3-(4-methylpyrazol-1-yl)-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 97123867
4-[4,4-Difluoro-2-(methoxymethyl)pyrrolidin-1-YL]-1-(1-methyl-1H-pyrazole-4-carbonyl)piperidine
CID 124051021
2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 164640397

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The IUPAC name of [(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone (CID 166280859) is [(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The canonical SMILES for [(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone is O=C(c1cnn(CCN2CCCCC2)c1)N1C[C@@H](F)C[C@@H]1C(F)(F)F.
What is the InChIKey of [(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The InChIKey is CVPVMDDTNLYKEV-UONOGXRCSA-N. The full InChI is InChI=1S/C16H22F4N4O/c17-13-8-14(16(18,19)20)24(11-13)15(25)12-9-21-23(10-12)7-6-22-4-2-1-3-5-22/h9-10,13-14H,1-8,11H2/t13-,14+/m0/s1.
What are the key properties of [(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
[(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone has a molecular weight of 362.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 166280859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).