3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one

C19H23F2N3O — CID 70742954

IUPAC3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(F)c(F)c1)N1CCCCC1CCn1cccn1
InChIInChI=1S/C19H23F2N3O/c20-17-7-5-15(14-18(17)21)6-8-19(25)24-12-2-1-4-16(24)9-13-23-11-3-10-22-23/h3,5,7,10-11,14,16H,1-2,4,6,8-9,12-13H2
InChIKeyREBLSQPNWXTZDS-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.57
Rot. Bonds6

About 3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one

3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one (PubChem CID 70742954) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one
PubChem CID70742954
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(F)c(F)c1)N1CCCCC1CCn1cccn1
InChIInChI=1S/C19H23F2N3O/c20-17-7-5-15(14-18(17)21)6-8-19(25)24-12-2-1-4-16(24)9-13-23-11-3-10-22-23/h3,5,7,10-11,14,16H,1-2,4,6,8-9,12-13H2
InChIKeyREBLSQPNWXTZDS-UHFFFAOYSA-N
XLogP3.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one 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

3-(3-fluoro-4-methoxyphenyl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 95353507
3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 95353508
3-(3,4-difluorophenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43428977
1-[[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-2-yl]methyl]-3-phenylurea
CID 86881246
(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126423251
1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione
CID 99929057
N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 56887203
1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96579347
3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one
CID 97140516
1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95553144
3-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95323061
3-(3,4-difluorophenyl)-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 129428086

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one (CID 70742954) is 3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one is O=C(CCc1ccc(F)c(F)c1)N1CCCCC1CCn1cccn1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one?
The InChIKey is REBLSQPNWXTZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c20-17-7-5-15(14-18(17)21)6-8-19(25)24-12-2-1-4-16(24)9-13-23-11-3-10-22-23/h3,5,7,10-11,14,16H,1-2,4,6,8-9,12-13H2.
What are the key properties of 3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one?
3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one has a molecular weight of 347.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70742954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).