5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid

C8H10N2O3 — CID 84658317

IUPAC5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid
SMILESCn1[nH]c(C2CC2)c(C(=O)O)c1=O
InChIInChI=1S/C8H10N2O3/c1-10-7(11)5(8(12)13)6(9-10)4-2-3-4/h4,9H,2-3H2,1H3,(H,12,13)
InChIKeyVUUYARFHZUHOAC-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.29
Rot. Bonds2

About 5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid

5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid (PubChem CID 84658317) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid
PubChem CID84658317
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid
SMILESCn1[nH]c(C2CC2)c(C(=O)O)c1=O
InChIInChI=1S/C8H10N2O3/c1-10-7(11)5(8(12)13)6(9-10)4-2-3-4/h4,9H,2-3H2,1H3,(H,12,13)
InChIKeyVUUYARFHZUHOAC-UHFFFAOYSA-N
XLogP0.29
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 57085020
CID 57085020
CID 178546343
CID 178546343
CID 60758056
CID 60758056
CID 83856999
CID 83856999
CID 84652926
CID 84652926
CID 84653690
CID 84653690
CID 84659502
CID 84659502
CID 84668213
CID 84668213
CID 117124386
CID 117124386
CID 117124542
CID 117124542
CID 117124543
CID 117124543
CID 117124548
CID 117124548

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid (CID 84658317) is 5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid is Cn1[nH]c(C2CC2)c(C(=O)O)c1=O.
What is the InChIKey of 5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid?
The InChIKey is VUUYARFHZUHOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10-7(11)5(8(12)13)6(9-10)4-2-3-4/h4,9H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid?
5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 84658317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).