2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid

C9H12N2O2 — CID 135349057

IUPAC2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
SMILESCc1[nH]ncc1C1C(C)C1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-4-7(8(4)9(12)13)6-3-10-11-5(6)2/h3-4,7-8H,1-2H3,(H,10,11)(H,12,13)
InChIKeyXRIGMAMJUDHOGQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.15
Rot. Bonds2

About 2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid

2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 135349057) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
PubChem CID135349057
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
SMILESCc1[nH]ncc1C1C(C)C1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-4-7(8(4)9(12)13)6-3-10-11-5(6)2/h3-4,7-8H,1-2H3,(H,10,11)(H,12,13)
InChIKeyXRIGMAMJUDHOGQ-UHFFFAOYSA-N
XLogP1.15
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid (CID 135349057) is 2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid is Cc1[nH]ncc1C1C(C)C1C(=O)O.
What is the InChIKey of 2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is XRIGMAMJUDHOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-4-7(8(4)9(12)13)6-3-10-11-5(6)2/h3-4,7-8H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 135349057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).