1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid

C8H10N2O3 — CID 83856946

IUPAC1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1c(C2(C(=O)O)CC2)[nH][nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-4-5(9-10-6(4)11)8(2-3-8)7(12)13/h2-3H2,1H3,(H,12,13)(H2,9,10,11)
InChIKeyVMXCDAVZLWQLFV-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.13
Rot. Bonds2

About 1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid

1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 83856946) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID83856946
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1c(C2(C(=O)O)CC2)[nH][nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-4-5(9-10-6(4)11)8(2-3-8)7(12)13/h2-3H2,1H3,(H,12,13)(H2,9,10,11)
InChIKeyVMXCDAVZLWQLFV-UHFFFAOYSA-N
XLogP0.13
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid (CID 83856946) is 1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid is Cc1c(C2(C(=O)O)CC2)[nH][nH]c1=O.
What is the InChIKey of 1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is VMXCDAVZLWQLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-5(9-10-6(4)11)8(2-3-8)7(12)13/h2-3H2,1H3,(H,12,13)(H2,9,10,11).
What are the key properties of 1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid?
1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83856946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).