1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid

C17H18FN3O3 — CID 122118645

IUPAC1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2ccn(-c3ccccc3F)n2)C1
InChIInChI=1S/C17H18FN3O3/c1-11-8-12(17(23)24)10-20(9-11)16(22)14-6-7-21(19-14)15-5-3-2-4-13(15)18/h2-7,11-12H,8-10H2,1H3,(H,23,24)
InChIKeyDFZBEZTTXIGYLC-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.19
Rot. Bonds3

About 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid

1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122118645) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122118645
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2ccn(-c3ccccc3F)n2)C1
InChIInChI=1S/C17H18FN3O3/c1-11-8-12(17(23)24)10-20(9-11)16(22)14-6-7-21(19-14)15-5-3-2-4-13(15)18/h2-7,11-12H,8-10H2,1H3,(H,23,24)
InChIKeyDFZBEZTTXIGYLC-UHFFFAOYSA-N
XLogP2.19
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124589136
[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 91653040
[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124574217
[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 119400311
[1-(2-fluorophenyl)pyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487860
1-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118140
1-(2,3-difluorobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118890
2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 129415546
1-(2-bromo-6-fluorobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119668
5-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122118632
(3-fluoro-4-methylphenyl)-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 55879541
1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55649494

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid (CID 122118645) is 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)c2ccn(-c3ccccc3F)n2)C1.
What is the InChIKey of 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is DFZBEZTTXIGYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11-8-12(17(23)24)10-20(9-11)16(22)14-6-7-21(19-14)15-5-3-2-4-13(15)18/h2-7,11-12H,8-10H2,1H3,(H,23,24).
What are the key properties of 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid?
1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 331.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122118645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).