1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid

C13H19N3O3 — CID 63123584

IUPAC1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCc1n[nH]c(C)c1C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C13H19N3O3/c1-8-10(9(2)15-14-8)11(17)16-6-4-13(3,5-7-16)12(18)19/h4-7H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyRTEMKQNXWRNPRR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.35
Rot. Bonds2

About 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid

1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123584) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63123584
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCc1n[nH]c(C)c1C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C13H19N3O3/c1-8-10(9(2)15-14-8)11(17)16-6-4-13(3,5-7-16)12(18)19/h4-7H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyRTEMKQNXWRNPRR-UHFFFAOYSA-N
XLogP1.35
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321245
1-[4-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 55003136
1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 113430661
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid
CID 63123861
1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149532
(3,5-dimethyl-1H-pyrazol-4-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114238132
(3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
CID 43582071
(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 106673072
(4-benzylpiperazin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 110695185
(3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 104976335
(3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63161995
4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
CID 66336150

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid (CID 63123584) is 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid is Cc1n[nH]c(C)c1C(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is RTEMKQNXWRNPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-10(9(2)15-14-8)11(17)16-6-4-13(3,5-7-16)12(18)19/h4-7H2,1-3H3,(H,14,15)(H,18,19).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).