ethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate

C19H18N2O2 — CID 3395130

IUPACethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(-c2ccccc2C)n1
InChIInChI=1S/C19H18N2O2/c1-3-23-19(22)16-13-18(15-10-5-4-6-11-15)21(20-16)17-12-8-7-9-14(17)2/h4-13H,3H2,1-2H3
InChIKeyZWNMXZFAAADBGF-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.02
Rot. Bonds4

About ethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate

ethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate (PubChem CID 3395130) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is ethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate
PubChem CID3395130
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Nameethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(-c2ccccc2C)n1
InChIInChI=1S/C19H18N2O2/c1-3-23-19(22)16-13-18(15-10-5-4-6-11-15)21(20-16)17-12-8-7-9-14(17)2/h4-13H,3H2,1-2H3
InChIKeyZWNMXZFAAADBGF-UHFFFAOYSA-N
XLogP4.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-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)-5-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate (CID 3395130) is ethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)n(-c2ccccc2C)n1.
What is the InChIKey of ethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate?
The InChIKey is ZWNMXZFAAADBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-23-19(22)16-13-18(15-10-5-4-6-11-15)21(20-16)17-12-8-7-9-14(17)2/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate?
ethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylphenyl)-5-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 3395130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).