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

C17H18ClN3O3 — CID 120514979

IUPAC1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCCC2C(=O)O)nn1-c1ccccc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-11-10-13(19-21(11)14-7-3-2-6-12(14)18)16(22)20-9-5-4-8-15(20)17(23)24/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,23,24)
InChIKeyQKOIYVIHLCZKCE-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.91
Rot. Bonds3

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

1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid (PubChem CID 120514979) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
PubChem CID120514979
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCCC2C(=O)O)nn1-c1ccccc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-11-10-13(19-21(11)14-7-3-2-6-12(14)18)16(22)20-9-5-4-8-15(20)17(23)24/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,23,24)
InChIKeyQKOIYVIHLCZKCE-UHFFFAOYSA-N
XLogP2.91
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 120537361
(2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 122140680
(2R)-1-[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370990
(2S)-1-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365116
cis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678931
1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 120514933
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528269
(2R)-1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 86784862
1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one
CID 43041687
1-(6-chloropyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62241098
1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]piperidine-2-carboxylic acid
CID 119175856

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid (CID 120514979) is 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid is Cc1cc(C(=O)N2CCCCC2C(=O)O)nn1-c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is QKOIYVIHLCZKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-11-10-13(19-21(11)14-7-3-2-6-12(14)18)16(22)20-9-5-4-8-15(20)17(23)24/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,23,24).
What are the key properties of 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid?
1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 347.80 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 120514979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).