1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid

C9H12N2O2 — CID 82600518

IUPAC1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CC2)nn1C
InChIInChI=1S/C9H12N2O2/c1-6-5-7(10-11(6)2)9(3-4-9)8(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyBGRSPJHKJMHTKX-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.84
Rot. Bonds2

About 1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid

1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 82600518) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID82600518
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CC2)nn1C
InChIInChI=1S/C9H12N2O2/c1-6-5-7(10-11(6)2)9(3-4-9)8(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyBGRSPJHKJMHTKX-UHFFFAOYSA-N
XLogP0.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,5-dimethylpyrazol-3-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 1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid (CID 82600518) is 1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CC2)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is BGRSPJHKJMHTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-5-7(10-11(6)2)9(3-4-9)8(12)13/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82600518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).