5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid

C13H19N3O3 — CID 117218445

IUPAC5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid
SMILESCC(C)n1nc(C(=O)O)cc1C(=O)NC1CCCC1
InChIInChI=1S/C13H19N3O3/c1-8(2)16-11(7-10(15-16)13(18)19)12(17)14-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyOYIZNZCKIYBCPY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.83
Rot. Bonds4

About 5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid

5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid (PubChem CID 117218445) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid
PubChem CID117218445
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid
SMILESCC(C)n1nc(C(=O)O)cc1C(=O)NC1CCCC1
InChIInChI=1S/C13H19N3O3/c1-8(2)16-11(7-10(15-16)13(18)19)12(17)14-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyOYIZNZCKIYBCPY-UHFFFAOYSA-N
XLogP1.83
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
CID 117218440
5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 147349873
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735
1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47103204
4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide
CID 117219054
5-[[(1R)-cyclohex-3-en-1-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid
CID 99849324
1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid
CID 71757852
5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide
CID 147447652
N-cyclohexyl-4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxamide
CID 42790618
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid (CID 117218445) is 5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid is CC(C)n1nc(C(=O)O)cc1C(=O)NC1CCCC1.
What is the InChIKey of 5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid?
The InChIKey is OYIZNZCKIYBCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)16-11(7-10(15-16)13(18)19)12(17)14-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid?
5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117218445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).