3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole

C17H14Cl2N2 — CID 154721614

IUPAC3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
SMILESClCCc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14Cl2N2/c18-11-10-15-12-17(13-4-2-1-3-5-13)21(20-15)16-8-6-14(19)7-9-16/h1-9,12H,10-11H2
InChIKeyUTKDWAMJOCOTNS-UHFFFAOYSA-N
MW317.22 g/mol
LogP4.97
Rot. Bonds4

About 3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole

3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole (PubChem CID 154721614) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
PubChem CID154721614
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
SMILESClCCc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14Cl2N2/c18-11-10-15-12-17(13-4-2-1-3-5-13)21(20-15)16-8-6-14(19)7-9-16/h1-9,12H,10-11H2
InChIKeyUTKDWAMJOCOTNS-UHFFFAOYSA-N
XLogP4.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
CID 11450880
[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol
CID 11471651
2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid
CID 54484375
1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
CID 14497452
3-(bromomethyl)-1-(4-methylphenyl)-5-phenylpyrazole
CID 11404650
1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine
CID 25066913
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
1-(4-bromophenyl)-5-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)pyrazole
CID 135065605
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
CID 164610011
1,3,5-triphenylpyrazole
CID 626614
1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine
CID 140990096

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole?
The IUPAC name of 3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole (CID 154721614) is 3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole.
What is the SMILES notation for 3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole?
The canonical SMILES for 3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole is ClCCc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole?
The InChIKey is UTKDWAMJOCOTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c18-11-10-15-12-17(13-4-2-1-3-5-13)21(20-15)16-8-6-14(19)7-9-16/h1-9,12H,10-11H2.
What are the key properties of 3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole?
3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole has a molecular weight of 317.22 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole is sourced from PubChem (CID 154721614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).