4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid

C7H12N2O2 — CID 59239923

IUPAC4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid
SMILESCC1C(C(=O)O)=NNC1(C)C
InChIInChI=1S/C7H12N2O2/c1-4-5(6(10)11)8-9-7(4,2)3/h4,9H,1-3H3,(H,10,11)
InChIKeyGGSFEIJGPYWSQP-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.44
Rot. Bonds1

About 4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid

4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid (PubChem CID 59239923) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid
PubChem CID59239923
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid
SMILESCC1C(C(=O)O)=NNC1(C)C
InChIInChI=1S/C7H12N2O2/c1-4-5(6(10)11)8-9-7(4,2)3/h4,9H,1-3H3,(H,10,11)
InChIKeyGGSFEIJGPYWSQP-UHFFFAOYSA-N
XLogP0.44
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,5,5-trimethyl-1,4-dihydropyrazole-3-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 4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid?
The IUPAC name of 4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid (CID 59239923) is 4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid.
What is the SMILES notation for 4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid?
The canonical SMILES for 4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid is CC1C(C(=O)O)=NNC1(C)C.
What is the InChIKey of 4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid?
The InChIKey is GGSFEIJGPYWSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4-5(6(10)11)8-9-7(4,2)3/h4,9H,1-3H3,(H,10,11).
What are the key properties of 4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid?
4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethyl-1,4-dihydropyrazole-3-carboxylic acid is sourced from PubChem (CID 59239923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).