2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid

C12H18N2O3 — CID 117124386

IUPAC2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid
SMILESCC(C)c1[nH]n(C2CCCC2)c(=O)c1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-7(2)10-9(12(16)17)11(15)14(13-10)8-5-3-4-6-8/h7-8,13H,3-6H2,1-2H3,(H,16,17)
InChIKeyCMUYASCDBIOKAH-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.11
Rot. Bonds3

About 2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid

2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid (PubChem CID 117124386) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid
PubChem CID117124386
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid
SMILESCC(C)c1[nH]n(C2CCCC2)c(=O)c1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-7(2)10-9(12(16)17)11(15)14(13-10)8-5-3-4-6-8/h7-8,13H,3-6H2,1-2H3,(H,16,17)
InChIKeyCMUYASCDBIOKAH-UHFFFAOYSA-N
XLogP2.11
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid (CID 117124386) is 2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid is CC(C)c1[nH]n(C2CCCC2)c(=O)c1C(=O)O.
What is the InChIKey of 2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid?
The InChIKey is CMUYASCDBIOKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)10-9(12(16)17)11(15)14(13-10)8-5-3-4-6-8/h7-8,13H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid?
2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 117124386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).