1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid

C7H8N2O3 — CID 82413450

IUPAC1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(=O)[nH][nH]2)CC1
InChIInChI=1S/C7H8N2O3/c10-5-3-4(8-9-5)7(1-2-7)6(11)12/h3H,1-2H2,(H,11,12)(H2,8,9,10)
InChIKeyHRCSGRDYXXSXST-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.18
Rot. Bonds2

About 1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid

1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 82413450) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID82413450
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(=O)[nH][nH]2)CC1
InChIInChI=1S/C7H8N2O3/c10-5-3-4(8-9-5)7(1-2-7)6(11)12/h3H,1-2H2,(H,11,12)(H2,8,9,10)
InChIKeyHRCSGRDYXXSXST-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid (CID 82413450) is 1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(=O)[nH][nH]2)CC1.
What is the InChIKey of 1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is HRCSGRDYXXSXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-5-3-4(8-9-5)7(1-2-7)6(11)12/h3H,1-2H2,(H,11,12)(H2,8,9,10).
What are the key properties of 1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid?
1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82413450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).