5-chloro-4-methyl-1,3-diphenylpyrazole

C16H13ClN2 — CID 104847504

IUPAC5-chloro-4-methyl-1,3-diphenylpyrazole
SMILESCc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C16H13ClN2/c1-12-15(13-8-4-2-5-9-13)18-19(16(12)17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyJGZLRATYLDYSFC-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.50
Rot. Bonds2

About 5-chloro-4-methyl-1,3-diphenylpyrazole

5-chloro-4-methyl-1,3-diphenylpyrazole (PubChem CID 104847504) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 5-chloro-4-methyl-1,3-diphenylpyrazole.

Molecular Properties

Compound Name5-chloro-4-methyl-1,3-diphenylpyrazole
PubChem CID104847504
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name5-chloro-4-methyl-1,3-diphenylpyrazole
SMILESCc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C16H13ClN2/c1-12-15(13-8-4-2-5-9-13)18-19(16(12)17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyJGZLRATYLDYSFC-UHFFFAOYSA-N
XLogP4.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
CID 736659
2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine
CID 104847570
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol
CID 170887609
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate
CID 54099322
5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole
CID 113460245
5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 86037887
5-chloro-3-methyl-1-phenylpyrazole
CID 2735771
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-1,3-diphenylpyrazole?
The IUPAC name of 5-chloro-4-methyl-1,3-diphenylpyrazole (CID 104847504) is 5-chloro-4-methyl-1,3-diphenylpyrazole.
What is the SMILES notation for 5-chloro-4-methyl-1,3-diphenylpyrazole?
The canonical SMILES for 5-chloro-4-methyl-1,3-diphenylpyrazole is Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-4-methyl-1,3-diphenylpyrazole?
The InChIKey is JGZLRATYLDYSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c1-12-15(13-8-4-2-5-9-13)18-19(16(12)17)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 5-chloro-4-methyl-1,3-diphenylpyrazole?
5-chloro-4-methyl-1,3-diphenylpyrazole has a molecular weight of 268.75 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-1,3-diphenylpyrazole is sourced from PubChem (CID 104847504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).