1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid

C13H20N4O3 — CID 63757663

IUPAC1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid
SMILESCc1nn(C)c(N2CCCC(C)(C(=O)O)C2)c1C(N)=O
InChIInChI=1S/C13H20N4O3/c1-8-9(10(14)18)11(16(3)15-8)17-6-4-5-13(2,7-17)12(19)20/h4-7H2,1-3H3,(H2,14,18)(H,19,20)
InChIKeyWHRMBIJANJIIKM-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.52
Rot. Bonds3

About 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid

1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 63757663) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid
PubChem CID63757663
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid
SMILESCc1nn(C)c(N2CCCC(C)(C(=O)O)C2)c1C(N)=O
InChIInChI=1S/C13H20N4O3/c1-8-9(10(14)18)11(16(3)15-8)17-6-4-5-13(2,7-17)12(19)20/h4-7H2,1-3H3,(H2,14,18)(H,19,20)
InChIKeyWHRMBIJANJIIKM-UHFFFAOYSA-N
XLogP0.52
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid
CID 63756447
1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid
CID 63136252
3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146321
5-(3-azaspiro[5.5]undecan-3-yl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 62936896
1,3-dimethyl-5-pyrrolidin-1-ylpyrazole-4-carbothioamide
CID 63757362
3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
CID 63136027
1-amino-3-methylpiperidine-3-carboxylic acid
CID 151231433
[5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 65283757
3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
CID 63152308
3-methyl-1-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)pyrrolidine-3-carboxylic acid
CID 66029443
5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 55241171
3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 63135534

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid (CID 63757663) is 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid is Cc1nn(C)c(N2CCCC(C)(C(=O)O)C2)c1C(N)=O.
What is the InChIKey of 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is WHRMBIJANJIIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-9(10(14)18)11(16(3)15-8)17-6-4-5-13(2,7-17)12(19)20/h4-7H2,1-3H3,(H2,14,18)(H,19,20).
What are the key properties of 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid?
1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63757663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).