1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

C16H24F2N4O2 — CID 110108500

IUPAC1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1
InChIInChI=1S/C16H24F2N4O2/c1-10-12(11(2)20-19-10)7-15(24)22-8-13(14(23)9-22)21-5-3-16(17,18)4-6-21/h13-14,23H,3-9H2,1-2H3,(H,19,20)/t13-,14-/m1/s1
InChIKeyAELIGDAKUMEXAV-ZIAGYGMSSA-N
MW342.39 g/mol
LogP0.87
Rot. Bonds3

About 1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (PubChem CID 110108500) has the molecular formula C16H24F2N4O2 and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
PubChem CID110108500
Molecular FormulaC16H24F2N4O2
Molecular Weight342.39 g/mol
Exact Mass342.19
IUPAC Name1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1
InChIInChI=1S/C16H24F2N4O2/c1-10-12(11(2)20-19-10)7-15(24)22-8-13(14(23)9-22)21-5-3-16(17,18)4-6-21/h13-14,23H,3-9H2,1-2H3,(H,19,20)/t13-,14-/m1/s1
InChIKeyAELIGDAKUMEXAV-ZIAGYGMSSA-N
XLogP0.87
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone 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-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 118740021
3-[amino(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 70746209
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-{[1-(2-methoxyethyl)piperidin-4-YL]methyl}-N-methylacetamide
CID 70747717
trans-1-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethoxypyrrolidin-3-ol
CID 91777202
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone
CID 132309864
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 102977065
N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide
CID 107482654
1-[4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 110098141
N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 113462761
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113594719
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 113759955
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 124210852

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The IUPAC name of 1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (CID 110108500) is 1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The canonical SMILES for 1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1.
What is the InChIKey of 1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The InChIKey is AELIGDAKUMEXAV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24F2N4O2/c1-10-12(11(2)20-19-10)7-15(24)22-8-13(14(23)9-22)21-5-3-16(17,18)4-6-21/h13-14,23H,3-9H2,1-2H3,(H,19,20)/t13-,14-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone has a molecular weight of 342.39 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 110108500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).