5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole

C16H12Cl2N2 — CID 66015304

IUPAC5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole
SMILESClc1ccc(Cn2nc(-c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C16H12Cl2N2/c17-14-8-6-12(7-9-14)11-20-16(18)10-15(19-20)13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyFFJHFGKMWFXSTL-UHFFFAOYSA-N
MW303.19 g/mol
LogP4.91
Rot. Bonds3

About 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole

5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole (PubChem CID 66015304) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole.

Molecular Properties

Compound Name5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole
PubChem CID66015304
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole
SMILESClc1ccc(Cn2nc(-c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C16H12Cl2N2/c17-14-8-6-12(7-9-14)11-20-16(18)10-15(19-20)13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyFFJHFGKMWFXSTL-UHFFFAOYSA-N
XLogP4.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole?
The IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole (CID 66015304) is 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole.
What is the SMILES notation for 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole?
The canonical SMILES for 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole is Clc1ccc(Cn2nc(-c3ccccc3)cc2Cl)cc1.
What is the InChIKey of 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole?
The InChIKey is FFJHFGKMWFXSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c17-14-8-6-12(7-9-14)11-20-16(18)10-15(19-20)13-4-2-1-3-5-13/h1-10H,11H2.
What are the key properties of 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole?
5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole has a molecular weight of 303.19 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole is sourced from PubChem (CID 66015304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).