methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate

C13H14N2O3 — CID 62267837

IUPACmethyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2OC)n(C)n1
InChIInChI=1S/C13H14N2O3/c1-15-11(8-10(14-15)13(16)18-3)9-6-4-5-7-12(9)17-2/h4-8H,1-3H3
InChIKeyXJJFLZSFCOCKPR-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.88
Rot. Bonds3

About methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate

methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate (PubChem CID 62267837) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
PubChem CID62267837
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2OC)n(C)n1
InChIInChI=1S/C13H14N2O3/c1-15-11(8-10(14-15)13(16)18-3)9-6-4-5-7-12(9)17-2/h4-8H,1-3H3
InChIKeyXJJFLZSFCOCKPR-UHFFFAOYSA-N
XLogP1.88
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-(2-methoxyphenyl)-1-methylpyrazole-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

Related Compounds

1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128496
N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate
CID 178145941
3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953
5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998005
5-(2-methoxyphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827490
methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate
CID 118130839
5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 68642030
ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 118562617
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate
CID 66989245
methyl 3-(2-methoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 155234885

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate (CID 62267837) is methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate is COC(=O)c1cc(-c2ccccc2OC)n(C)n1.
What is the InChIKey of methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate?
The InChIKey is XJJFLZSFCOCKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15-11(8-10(14-15)13(16)18-3)9-6-4-5-7-12(9)17-2/h4-8H,1-3H3.
What are the key properties of methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate?
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 62267837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).