methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate

C12H12N2O3 — CID 1243311

IUPACmethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1
InChIInChI=1S/C12H12N2O3/c1-16-9-5-3-8(4-6-9)10-7-11(14-13-10)12(15)17-2/h3-7H,1-2H3,(H,13,14)
InChIKeyFJNMXQMHEIWMQI-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.87
Rot. Bonds3

About methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate

methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate (PubChem CID 1243311) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
PubChem CID1243311
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Namemethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1
InChIInChI=1S/C12H12N2O3/c1-16-9-5-3-8(4-6-9)10-7-11(14-13-10)12(15)17-2/h3-7H,1-2H3,(H,13,14)
InChIKeyFJNMXQMHEIWMQI-UHFFFAOYSA-N
XLogP1.87
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-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 methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate (CID 1243311) is methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate is COC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1.
What is the InChIKey of methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate?
The InChIKey is FJNMXQMHEIWMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-9-5-3-8(4-6-9)10-7-11(14-13-10)12(15)17-2/h3-7H,1-2H3,(H,13,14).
What are the key properties of methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate?
methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 1243311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).