(2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid

C18H21N3O3 — CID 120537361

IUPAC(2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)N3CCCC[C@@H]3C(=O)O)cc2C)cc1
InChIInChI=1S/C18H21N3O3/c1-12-6-8-14(9-7-12)21-13(2)11-15(19-21)17(22)20-10-4-3-5-16(20)18(23)24/h6-9,11,16H,3-5,10H2,1-2H3,(H,23,24)/t16-/m1/s1
InChIKeyZJCKINHDQIPNIE-MRXNPFEDSA-N
MW327.38 g/mol
LogP2.57
Rot. Bonds3

About (2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid

(2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid (PubChem CID 120537361) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid
PubChem CID120537361
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)N3CCCC[C@@H]3C(=O)O)cc2C)cc1
InChIInChI=1S/C18H21N3O3/c1-12-6-8-14(9-7-12)21-13(2)11-15(19-21)17(22)20-10-4-3-5-16(20)18(23)24/h6-9,11,16H,3-5,10H2,1-2H3,(H,23,24)/t16-/m1/s1
InChIKeyZJCKINHDQIPNIE-MRXNPFEDSA-N
XLogP2.57
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 120514979
1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 120514933
(2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 122115467
[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110372815
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698662
1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]piperidine-2-carboxylic acid
CID 119175856
1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 23090254
1-(2-bromo-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 81110904
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 62514425
(2S)-1-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 124696505

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid (CID 120537361) is (2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid is Cc1ccc(-n2nc(C(=O)N3CCCC[C@@H]3C(=O)O)cc2C)cc1.
What is the InChIKey of (2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is ZJCKINHDQIPNIE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-6-8-14(9-7-12)21-13(2)11-15(19-21)17(22)20-10-4-3-5-16(20)18(23)24/h6-9,11,16H,3-5,10H2,1-2H3,(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid?
(2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 120537361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).