2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid

C8H10N2O2 — CID 126855068

IUPAC2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCn1ccc(C2CC2C(=O)O)n1
InChIInChI=1S/C8H10N2O2/c1-10-3-2-7(9-10)5-4-6(5)8(11)12/h2-3,5-6H,4H2,1H3,(H,11,12)
InChIKeyRGWHFGCVORFMCD-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.61
Rot. Bonds2

About 2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid

2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 126855068) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID126855068
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCn1ccc(C2CC2C(=O)O)n1
InChIInChI=1S/C8H10N2O2/c1-10-3-2-7(9-10)5-4-6(5)8(11)12/h2-3,5-6H,4H2,1H3,(H,11,12)
InChIKeyRGWHFGCVORFMCD-UHFFFAOYSA-N
XLogP0.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid (CID 126855068) is 2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid is Cn1ccc(C2CC2C(=O)O)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is RGWHFGCVORFMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-3-2-7(9-10)5-4-6(5)8(11)12/h2-3,5-6H,4H2,1H3,(H,11,12).
What are the key properties of 2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 126855068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).