5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid

C13H19N3O3 — CID 19623713

IUPAC5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid
SMILESCC1CC(C)CN(C(=O)c2c(C(=O)O)cnn2C)C1
InChIInChI=1S/C13H19N3O3/c1-8-4-9(2)7-16(6-8)12(17)11-10(13(18)19)5-14-15(11)3/h5,8-9H,4,6-7H2,1-3H3,(H,18,19)
InChIKeyIBOKVRPEKGVRJO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.24
Rot. Bonds2

About 5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid

5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 19623713) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID19623713
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid
SMILESCC1CC(C)CN(C(=O)c2c(C(=O)O)cnn2C)C1
InChIInChI=1S/C13H19N3O3/c1-8-4-9(2)7-16(6-8)12(17)11-10(13(18)19)5-14-15(11)3/h5,8-9H,4,6-7H2,1-3H3,(H,18,19)
InChIKeyIBOKVRPEKGVRJO-UHFFFAOYSA-N
XLogP1.24
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 35762905
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
5-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid
CID 29095767
5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid
CID 29095932
1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid
CID 114593998
4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 67041580
4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide
CID 89434969
(2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone
CID 5143812
1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 19623779
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 56725204
(3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 42952771
1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid
CID 19623821

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid (CID 19623713) is 5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid is CC1CC(C)CN(C(=O)c2c(C(=O)O)cnn2C)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is IBOKVRPEKGVRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-4-9(2)7-16(6-8)12(17)11-10(13(18)19)5-14-15(11)3/h5,8-9H,4,6-7H2,1-3H3,(H,18,19).
What are the key properties of 5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid?
5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19623713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).