ethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate

C14H16N2O2 — CID 14175131

IUPACethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1-c1ccc(C)cc1
InChIInChI=1S/C14H16N2O2/c1-4-18-14(17)12-9-16(3)15-13(12)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3
InChIKeyUHRSELZWJNUQOD-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.57
Rot. Bonds3

About ethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate

ethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate (PubChem CID 14175131) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate
PubChem CID14175131
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1-c1ccc(C)cc1
InChIInChI=1S/C14H16N2O2/c1-4-18-14(17)12-9-16(3)15-13(12)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3
InChIKeyUHRSELZWJNUQOD-UHFFFAOYSA-N
XLogP2.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-methyl-3-(4-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-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate (CID 14175131) is ethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate is CCOC(=O)c1cn(C)nc1-c1ccc(C)cc1.
What is the InChIKey of ethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate?
The InChIKey is UHRSELZWJNUQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-18-14(17)12-9-16(3)15-13(12)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate?
ethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-(4-methylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 14175131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).