ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate

C14H15ClN2O3 — CID 118562617

IUPACethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(Cl)ccc2OC)n(C)n1
InChIInChI=1S/C14H15ClN2O3/c1-4-20-14(18)11-8-12(17(2)16-11)10-7-9(15)5-6-13(10)19-3/h5-8H,4H2,1-3H3
InChIKeyOLJADJOPDJODOG-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.93
Rot. Bonds4

About ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate

ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate (PubChem CID 118562617) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
PubChem CID118562617
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Nameethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(Cl)ccc2OC)n(C)n1
InChIInChI=1S/C14H15ClN2O3/c1-4-20-14(18)11-8-12(17(2)16-11)10-7-9(15)5-6-13(10)19-3/h5-8H,4H2,1-3H3
InChIKeyOLJADJOPDJODOG-UHFFFAOYSA-N
XLogP2.93
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(5-chloro-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

ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 42878869
ethyl 5-(3,5-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 75176283
ethyl 5-(3,4-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 67452186
ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate
CID 58838264
ethyl 5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylate
CID 42878867
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
5-(5-chloro-2-ethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117416117
5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 110336742
methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate
CID 178145941
ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate
CID 43155561
ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 106819010
ethyl 5-(3-bromophenyl)-1-methylpyrazole-3-carboxylate
CID 57428257

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate (CID 118562617) is ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2cc(Cl)ccc2OC)n(C)n1.
What is the InChIKey of ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate?
The InChIKey is OLJADJOPDJODOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-4-20-14(18)11-8-12(17(2)16-11)10-7-9(15)5-6-13(10)19-3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate?
ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate has a molecular weight of 294.74 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 118562617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).