1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid

C17H18ClN3O4 — CID 120528269

IUPAC1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)nn1-c1ccccc1Cl
InChIInChI=1S/C17H18ClN3O4/c1-11-10-13(19-21(11)14-5-3-2-4-12(14)18)15(22)20-8-6-17(25,7-9-20)16(23)24/h2-5,10,25H,6-9H2,1H3,(H,23,24)
InChIKeyGJZWTQASJYYWJF-UHFFFAOYSA-N
MW363.80 g/mol
LogP1.89
Rot. Bonds3

About 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid

1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 120528269) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID120528269
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)nn1-c1ccccc1Cl
InChIInChI=1S/C17H18ClN3O4/c1-11-10-13(19-21(11)14-5-3-2-4-12(14)18)15(22)20-8-6-17(25,7-9-20)16(23)24/h2-5,10,25H,6-9H2,1H3,(H,23,24)
InChIKeyGJZWTQASJYYWJF-UHFFFAOYSA-N
XLogP1.89
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 82188857
1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 120514979
(3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone
CID 166362262
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251237
4-[[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542922
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452
4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid
CID 119251838
cis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678931
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421466
1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251590
1-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 120512359
1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
CID 110676727

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid (CID 120528269) is 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid is Cc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is GJZWTQASJYYWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-11-10-13(19-21(11)14-5-3-2-4-12(14)18)15(22)20-8-6-17(25,7-9-20)16(23)24/h2-5,10,25H,6-9H2,1H3,(H,23,24).
What are the key properties of 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 363.80 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 120528269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).