methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate

C15H11BrN2O2S — CID 43513891

IUPACmethyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cccs2)n(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H11BrN2O2S/c1-20-15(19)12-9-13(14-3-2-8-21-14)18(17-12)11-6-4-10(16)5-7-11/h2-9H,1H3
InChIKeyWLDNQGRDJDOLRW-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.15
Rot. Bonds3

About methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate

methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate (PubChem CID 43513891) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
PubChem CID43513891
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC Namemethyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cccs2)n(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H11BrN2O2S/c1-20-15(19)12-9-13(14-3-2-8-21-14)18(17-12)11-6-4-10(16)5-7-11/h2-9H,1H3
InChIKeyWLDNQGRDJDOLRW-UHFFFAOYSA-N
XLogP4.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(3-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 43542649
methyl 1-quinoxalin-6-yl-5-thiophen-2-ylpyrazole-3-carboxylate
CID 166327791
ethyl 1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 169498735
methyl 1-(4-bromophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate
CID 22014681
methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 4767067
methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178088151
1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 43542791
ethane;methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178088150
methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate
CID 22316990
1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazole-3-carboxamide
CID 164618454
3-methoxycarbonyl-5-(4-methylphenyl)-1-[4-(sulfinoamino)phenyl]pyrazole
CID 71274843
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate?
The IUPAC name of methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate (CID 43513891) is methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate is COC(=O)c1cc(-c2cccs2)n(-c2ccc(Br)cc2)n1.
What is the InChIKey of methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate?
The InChIKey is WLDNQGRDJDOLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c1-20-15(19)12-9-13(14-3-2-8-21-14)18(17-12)11-6-4-10(16)5-7-11/h2-9H,1H3.
What are the key properties of methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate?
methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate has a molecular weight of 363.24 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate is sourced from PubChem (CID 43513891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).