3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid

C7H8N2O3 — CID 84652926

IUPAC3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
SMILESO=C(O)c1c(C2CC2)[nH][nH]c1=O
InChIInChI=1S/C7H8N2O3/c10-6-4(7(11)12)5(8-9-6)3-1-2-3/h3H,1-2H2,(H,11,12)(H2,8,9,10)
InChIKeyXIHMTLGQIJWIMR-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.28
Rot. Bonds2

About 3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid

3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid (PubChem CID 84652926) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
PubChem CID84652926
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
SMILESO=C(O)c1c(C2CC2)[nH][nH]c1=O
InChIInChI=1S/C7H8N2O3/c10-6-4(7(11)12)5(8-9-6)3-1-2-3/h3H,1-2H2,(H,11,12)(H2,8,9,10)
InChIKeyXIHMTLGQIJWIMR-UHFFFAOYSA-N
XLogP0.28
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid (CID 84652926) is 3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid is O=C(O)c1c(C2CC2)[nH][nH]c1=O.
What is the InChIKey of 3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The InChIKey is XIHMTLGQIJWIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-6-4(7(11)12)5(8-9-6)3-1-2-3/h3H,1-2H2,(H,11,12)(H2,8,9,10).
What are the key properties of 3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 84652926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).