2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid

C13H20N2O3 — CID 117124392

IUPAC2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid
SMILESCC(C)c1[nH]n(C2CCCC2)c(=O)c1CC(=O)O
InChIInChI=1S/C13H20N2O3/c1-8(2)12-10(7-11(16)17)13(18)15(14-12)9-5-3-4-6-9/h8-9,14H,3-7H2,1-2H3,(H,16,17)
InChIKeyYAURXFKANXFIKG-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.04
Rot. Bonds4

About 2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid

2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid (PubChem CID 117124392) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid
PubChem CID117124392
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid
SMILESCC(C)c1[nH]n(C2CCCC2)c(=O)c1CC(=O)O
InChIInChI=1S/C13H20N2O3/c1-8(2)12-10(7-11(16)17)13(18)15(14-12)9-5-3-4-6-9/h8-9,14H,3-7H2,1-2H3,(H,16,17)
InChIKeyYAURXFKANXFIKG-UHFFFAOYSA-N
XLogP2.04
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid (CID 117124392) is 2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid is CC(C)c1[nH]n(C2CCCC2)c(=O)c1CC(=O)O.
What is the InChIKey of 2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
The InChIKey is YAURXFKANXFIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)12-10(7-11(16)17)13(18)15(14-12)9-5-3-4-6-9/h8-9,14H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid has a molecular weight of 252.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 117124392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).