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

C19H30F2N4O2 — CID 125026925

IUPAC1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1
InChIInChI=1S/C19H30F2N4O2/c1-14-16(15(2)23-22-14)12-17(26)25-8-3-4-18(27,5-11-25)13-24-9-6-19(20,21)7-10-24/h27H,3-13H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyZXENYYWEUROPKI-GOSISDBHSA-N
MW384.47 g/mol
LogP2.04
Rot. Bonds4

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

1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (PubChem CID 125026925) has the molecular formula C19H30F2N4O2 and a molecular weight of 384.47 g/mol. Its IUPAC name is 1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
PubChem CID125026925
Molecular FormulaC19H30F2N4O2
Molecular Weight384.47 g/mol
Exact Mass384.23
IUPAC Name1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1
InChIInChI=1S/C19H30F2N4O2/c1-14-16(15(2)23-22-14)12-17(26)25-8-3-4-18(27,5-11-25)13-24-9-6-19(20,21)7-10-24/h27H,3-13H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyZXENYYWEUROPKI-GOSISDBHSA-N
XLogP2.04
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-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
1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 110108500
[4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 110123270
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
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 124210852
[(4S)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 124966239
[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 124966240
1-[(4S)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 125026926
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide
CID 126820302
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]ethanone
CID 137836797

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The IUPAC name of 1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (CID 125026925) is 1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The canonical SMILES for 1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is Cc1n[nH]c(C)c1CC(=O)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The InChIKey is ZXENYYWEUROPKI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H30F2N4O2/c1-14-16(15(2)23-22-14)12-17(26)25-8-3-4-18(27,5-11-25)13-24-9-6-19(20,21)7-10-24/h27H,3-13H2,1-2H3,(H,22,23)/t18-/m1/s1.
What are the key properties of 1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone has a molecular weight of 384.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 125026925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).