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

C24H21ClN2 — CID 19587079

IUPAC4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole
SMILESCc1ccc(-n2nc(-c3cccc(C)c3)c(Cl)c2-c2cccc(C)c2)cc1
InChIInChI=1S/C24H21ClN2/c1-16-10-12-21(13-11-16)27-24(20-9-5-7-18(3)15-20)22(25)23(26-27)19-8-4-6-17(2)14-19/h4-15H,1-3H3
InChIKeyMCBBHLYWEYKKLO-UHFFFAOYSA-N
MW372.90 g/mol
LogP6.78
Rot. Bonds3

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

4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole (PubChem CID 19587079) has the molecular formula C24H21ClN2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole
PubChem CID19587079
Molecular FormulaC24H21ClN2
Molecular Weight372.90 g/mol
Exact Mass372.14
IUPAC Name4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole
SMILESCc1ccc(-n2nc(-c3cccc(C)c3)c(Cl)c2-c2cccc(C)c2)cc1
InChIInChI=1S/C24H21ClN2/c1-16-10-12-21(13-11-16)27-24(20-9-5-7-18(3)15-20)22(25)23(26-27)19-8-4-6-17(2)14-19/h4-15H,1-3H3
InChIKeyMCBBHLYWEYKKLO-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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Related Compounds

4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole
CID 19587233
4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole
CID 19587037
4-chloro-1-(3-chloro-4-methylphenyl)-3,5-bis(3,4-dichlorophenyl)pyrazole
CID 17025515
3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole
CID 19587307
4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine
CID 83910681
5-methyl-2-(4-methylphenyl)-3-phenylindazole
CID 177414447
4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19586926
1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole
CID 19587327
2-[4-chloro-3,5-bis(3-methylphenyl)pyrazol-1-yl]-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine
CID 19586497
4-chloro-1-(3-chloro-4-methylphenyl)-3,5-bis(4-fluorophenyl)pyrazole
CID 19587540
4-chloro-2-methyl-5-(3-methylphenyl)pyrazole-3-carbaldehyde
CID 83911945
4-chloro-3,5-bis(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]pyrazole
CID 19586978

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole?
The IUPAC name of 4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole (CID 19587079) is 4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole.
What is the SMILES notation for 4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole?
The canonical SMILES for 4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole is Cc1ccc(-n2nc(-c3cccc(C)c3)c(Cl)c2-c2cccc(C)c2)cc1.
What is the InChIKey of 4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole?
The InChIKey is MCBBHLYWEYKKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2/c1-16-10-12-21(13-11-16)27-24(20-9-5-7-18(3)15-20)22(25)23(26-27)19-8-4-6-17(2)14-19/h4-15H,1-3H3.
What are the key properties of 4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole?
4-chloro-3,5-bis(3-methylphenyl)-1-(4-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 4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole is sourced from PubChem (CID 19587079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).