1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole

C24H21ClN2 — CID 19587265

IUPAC1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole
SMILESCc1cccc(-c2cc(-c3cccc(C)c3)n(-c3ccc(C)c(Cl)c3)n2)c1
InChIInChI=1S/C24H21ClN2/c1-16-6-4-8-19(12-16)23-15-24(20-9-5-7-17(2)13-20)27(26-23)21-11-10-18(3)22(25)14-21/h4-15H,1-3H3
InChIKeyNDLCEMYEPUCIAV-UHFFFAOYSA-N
MW372.90 g/mol
LogP6.78
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole

1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole (PubChem CID 19587265) has the molecular formula C24H21ClN2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole
PubChem CID19587265
Molecular FormulaC24H21ClN2
Molecular Weight372.90 g/mol
Exact Mass372.14
IUPAC Name1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole
SMILESCc1cccc(-c2cc(-c3cccc(C)c3)n(-c3ccc(C)c(Cl)c3)n2)c1
InChIInChI=1S/C24H21ClN2/c1-16-6-4-8-19(12-16)23-15-24(20-9-5-7-17(2)13-20)27(26-23)21-11-10-18(3)22(25)14-21/h4-15H,1-3H3
InChIKeyNDLCEMYEPUCIAV-UHFFFAOYSA-N
XLogP6.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole (CID 19587265) is 1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole is Cc1cccc(-c2cc(-c3cccc(C)c3)n(-c3ccc(C)c(Cl)c3)n2)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole?
The InChIKey is NDLCEMYEPUCIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2/c1-16-6-4-8-19(12-16)23-15-24(20-9-5-7-17(2)13-20)27(26-23)21-11-10-18(3)22(25)14-21/h4-15H,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole?
1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole has a molecular weight of 372.90 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole is sourced from PubChem (CID 19587265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).