1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid

C8H10N2O3 — CID 83846716

IUPAC1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCn1[nH]c(=O)cc1C1(C(=O)O)CC1
InChIInChI=1S/C8H10N2O3/c1-10-5(4-6(11)9-10)8(2-3-8)7(12)13/h4H,2-3H2,1H3,(H,9,11)(H,12,13)
InChIKeyRPDZVRRNEZGMJS-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.17
Rot. Bonds2

About 1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid

1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 83846716) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID83846716
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCn1[nH]c(=O)cc1C1(C(=O)O)CC1
InChIInChI=1S/C8H10N2O3/c1-10-5(4-6(11)9-10)8(2-3-8)7(12)13/h4H,2-3H2,1H3,(H,9,11)(H,12,13)
InChIKeyRPDZVRRNEZGMJS-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid (CID 83846716) is 1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid is Cn1[nH]c(=O)cc1C1(C(=O)O)CC1.
What is the InChIKey of 1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is RPDZVRRNEZGMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10-5(4-6(11)9-10)8(2-3-8)7(12)13/h4H,2-3H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid?
1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83846716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).