methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate

C11H8Cl2N2O2 — CID 14399715

IUPACmethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(Cl)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H8Cl2N2O2/c1-17-11(16)9-6-10(13)15(14-9)8-4-2-7(12)3-5-8/h2-6H,1H3
InChIKeyBGEPZRSDQVLACO-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.97
Rot. Bonds2

About methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate

methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate (PubChem CID 14399715) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
PubChem CID14399715
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Namemethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(Cl)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H8Cl2N2O2/c1-17-11(16)9-6-10(13)15(14-9)8-4-2-7(12)3-5-8/h2-6H,1H3
InChIKeyBGEPZRSDQVLACO-UHFFFAOYSA-N
XLogP2.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 139926661
methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate
CID 82305712
methyl 1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-3-carboxylate
CID 79150154
dimethyl 1-(4-fluorophenyl)pyrazole-3,5-dicarboxylate
CID 11140407
methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178088151
ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 158834534
ethane;methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178088150
methyl 1-(4-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxylate
CID 121426980
methyl 5-tert-butyl-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 63173430
methyl 1-(3-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazole-3-carboxylate
CID 1477228
ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate
CID 142640195
1-(4-chlorophenyl)-5-ethyl-N-methylpyrazole-3-carboxamide
CID 138706078

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate (CID 14399715) is methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate is COC(=O)c1cc(Cl)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate?
The InChIKey is BGEPZRSDQVLACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-17-11(16)9-6-10(13)15(14-9)8-4-2-7(12)3-5-8/h2-6H,1H3.
What are the key properties of methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate?
methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate has a molecular weight of 271.10 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 14399715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).