1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid

C9H12N2O3 — CID 61389202

IUPAC1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid
SMILESCC(C1CC1)N1N=C(C(=O)O)CC1=O
InChIInChI=1S/C9H12N2O3/c1-5(6-2-3-6)11-8(12)4-7(10-11)9(13)14/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyQZJDVCGFBFSPHK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.46
Rot. Bonds3

About 1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid

1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid (PubChem CID 61389202) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid
PubChem CID61389202
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid
SMILESCC(C1CC1)N1N=C(C(=O)O)CC1=O
InChIInChI=1S/C9H12N2O3/c1-5(6-2-3-6)11-8(12)4-7(10-11)9(13)14/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyQZJDVCGFBFSPHK-UHFFFAOYSA-N
XLogP0.46
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid (CID 61389202) is 1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid is CC(C1CC1)N1N=C(C(=O)O)CC1=O.
What is the InChIKey of 1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid?
The InChIKey is QZJDVCGFBFSPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5(6-2-3-6)11-8(12)4-7(10-11)9(13)14/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid?
1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-5-oxo-4H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 61389202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).