[5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate

C16H10Cl2N2O2 — CID 91589410

IUPAC[5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate
SMILESO=COc1cc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H10Cl2N2O2/c17-12-4-6-14(7-5-12)20-15(9-16(19-20)22-10-21)11-2-1-3-13(18)8-11/h1-10H
InChIKeyPUFNHXQGTCAWAF-UHFFFAOYSA-N
MW333.17 g/mol
LogP4.38
Rot. Bonds4

About [5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate

[5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate (PubChem CID 91589410) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate
PubChem CID91589410
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name[5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate
SMILESO=COc1cc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H10Cl2N2O2/c17-12-4-6-14(7-5-12)20-15(9-16(19-20)22-10-21)11-2-1-3-13(18)8-11/h1-10H
InChIKeyPUFNHXQGTCAWAF-UHFFFAOYSA-N
XLogP4.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate
CID 91386227
(1,5-diphenylpyrazol-3-yl) formate
CID 91229839
1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
1-(3-chlorophenyl)-5-(3,4-difluorophenyl)pyrazole-3-carboxylic acid
CID 58277418
2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid
CID 54484375
3-(bromomethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
CID 11450880
[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol
CID 11471651
1-(3-chlorophenyl)-5-[3-(methyliminomethyl)phenyl]pyrazole-3-carboxylic acid
CID 143863937
3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
CID 154721614
1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19587253

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate?
The IUPAC name of [5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate (CID 91589410) is [5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate.
What is the SMILES notation for [5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate?
The canonical SMILES for [5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate is O=COc1cc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate?
The InChIKey is PUFNHXQGTCAWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-12-4-6-14(7-5-12)20-15(9-16(19-20)22-10-21)11-2-1-3-13(18)8-11/h1-10H.
What are the key properties of [5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate?
[5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate has a molecular weight of 333.17 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1-(4-chlorophenyl)pyrazol-3-yl] formate is sourced from PubChem (CID 91589410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).