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

C12H18N4O3 — CID 63756447

IUPAC1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid
SMILESCc1nn(C)c(N2CCCC(C(=O)O)C2)c1C(N)=O
InChIInChI=1S/C12H18N4O3/c1-7-9(10(13)17)11(15(2)14-7)16-5-3-4-8(6-16)12(18)19/h8H,3-6H2,1-2H3,(H2,13,17)(H,18,19)
InChIKeyBDOYZXDOEGFVIM-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.13
Rot. Bonds3

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

1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid (PubChem CID 63756447) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid
PubChem CID63756447
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid
SMILESCc1nn(C)c(N2CCCC(C(=O)O)C2)c1C(N)=O
InChIInChI=1S/C12H18N4O3/c1-7-9(10(13)17)11(15(2)14-7)16-5-3-4-8(6-16)12(18)19/h8H,3-6H2,1-2H3,(H2,13,17)(H,18,19)
InChIKeyBDOYZXDOEGFVIM-UHFFFAOYSA-N
XLogP0.13
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-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-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103195947
5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
CID 63756175
5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 43584669
1,3-dimethyl-5-pyrrolidin-1-ylpyrazole-4-carbothioamide
CID 63757362
1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid
CID 63170699
1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid
CID 63757663
1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide
CID 63752202
1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103195546
3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid
CID 63758176
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752216
1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazole-4-carbothioamide
CID 63756692
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952249

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid (CID 63756447) is 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid is Cc1nn(C)c(N2CCCC(C(=O)O)C2)c1C(N)=O.
What is the InChIKey of 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid?
The InChIKey is BDOYZXDOEGFVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7-9(10(13)17)11(15(2)14-7)16-5-3-4-8(6-16)12(18)19/h8H,3-6H2,1-2H3,(H2,13,17)(H,18,19).
What are the key properties of 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid?
1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.13, 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)piperidine-3-carboxylic acid is sourced from PubChem (CID 63756447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).