ethyl 1-(2-methylphenyl)pyrazole-4-carboxylate

C13H14N2O2 — CID 11229970

IUPACethyl 1-(2-methylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2C)c1
InChIInChI=1S/C13H14N2O2/c1-3-17-13(16)11-8-14-15(9-11)12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3
InChIKeyDKJRIRPFTRCMQG-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.36
Rot. Bonds3

About ethyl 1-(2-methylphenyl)pyrazole-4-carboxylate

ethyl 1-(2-methylphenyl)pyrazole-4-carboxylate (PubChem CID 11229970) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is ethyl 1-(2-methylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylphenyl)pyrazole-4-carboxylate
PubChem CID11229970
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Nameethyl 1-(2-methylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2C)c1
InChIInChI=1S/C13H14N2O2/c1-3-17-13(16)11-8-14-15(9-11)12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3
InChIKeyDKJRIRPFTRCMQG-UHFFFAOYSA-N
XLogP2.36
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(2-methylphenyl)pyrazole-4-carboxylate 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 ethyl 1-(2-methylphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-methylphenyl)pyrazole-4-carboxylate (CID 11229970) is ethyl 1-(2-methylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-methylphenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2C)c1.
What is the InChIKey of ethyl 1-(2-methylphenyl)pyrazole-4-carboxylate?
The InChIKey is DKJRIRPFTRCMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-17-13(16)11-8-14-15(9-11)12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 1-(2-methylphenyl)pyrazole-4-carboxylate?
ethyl 1-(2-methylphenyl)pyrazole-4-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 11229970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).