1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C18H20FN3O3 — CID 56885235

IUPAC1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(CCc1cccc(F)c1)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C18H20FN3O3/c19-15-4-1-3-14(13-15)5-6-16(23)21-11-7-18(8-12-21,17(24)25)22-10-2-9-20-22/h1-4,9-10,13H,5-8,11-12H2,(H,24,25)
InChIKeySNSQPGMLPMYUKA-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.06
Rot. Bonds5

About 1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56885235) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56885235
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(CCc1cccc(F)c1)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C18H20FN3O3/c19-15-4-1-3-14(13-15)5-6-16(23)21-11-7-18(8-12-21,17(24)25)22-10-2-9-20-22/h1-4,9-10,13H,5-8,11-12H2,(H,24,25)
InChIKeySNSQPGMLPMYUKA-UHFFFAOYSA-N
XLogP2.06
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-[2-[3-(4-fluorophenyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylate
CID 53592920
3-(3,4-Difluorophenyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 53620924
3-(2,6-Difluorophenyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 53621291
3-Phenyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 53621491
(3R,4S)-4-(4-Fluorophenyl)-1-[3-(pyrazol-1-YL)propanoyl]pyrrolidine-3-carboxylic acid
CID 16667859
1-(4-fluorophenyl)-N,N-dimethyl-2-oxo-2-[4-(1H-pyrazol-1-ylmethyl)piperidin-1-yl]ethanamine
CID 50959282
1-(3-fluorobenzoyl)-4-(3-isopropyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56903474
2-[3-[(3S)-1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126444036
2-(3,4-Difluorophenyl)-2-pyrazol-1-ylacetic acid
CID 68687960
2-(2,4-Difluorophenyl)-2-pyrazol-1-ylacetic acid
CID 130277401
(2S)-3-phenyl-2-[[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 129613657
2-(4-Fluorophenyl)-1-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]ethanone
CID 45833531

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56885235) is 1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is O=C(CCc1cccc(F)c1)N1CCC(C(=O)O)(n2cccn2)CC1.
What is the InChIKey of 1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is SNSQPGMLPMYUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-15-4-1-3-14(13-15)5-6-16(23)21-11-7-18(8-12-21,17(24)25)22-10-2-9-20-22/h1-4,9-10,13H,5-8,11-12H2,(H,24,25).
What are the key properties of 1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 345.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)propanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56885235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).