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

C23H17Cl3N2 — CID 19587037

IUPAC4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2nn(-c3cc(Cl)cc(Cl)c3)c(-c3ccc(C)cc3)c2Cl)cc1
InChIInChI=1S/C23H17Cl3N2/c1-14-3-7-16(8-4-14)22-21(26)23(17-9-5-15(2)6-10-17)28(27-22)20-12-18(24)11-19(25)13-20/h3-13H,1-2H3
InChIKeyGALAVELESONVFE-UHFFFAOYSA-N
MW427.76 g/mol
LogP7.78
Rot. Bonds3

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

4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole (PubChem CID 19587037) has the molecular formula C23H17Cl3N2 and a molecular weight of 427.76 g/mol. Its IUPAC name is 4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole
PubChem CID19587037
Molecular FormulaC23H17Cl3N2
Molecular Weight427.76 g/mol
Exact Mass426.05
IUPAC Name4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2nn(-c3cc(Cl)cc(Cl)c3)c(-c3ccc(C)cc3)c2Cl)cc1
InChIInChI=1S/C23H17Cl3N2/c1-14-3-7-16(8-4-14)22-21(26)23(17-9-5-15(2)6-10-17)28(27-22)20-12-18(24)11-19(25)13-20/h3-13H,1-2H3
InChIKeyGALAVELESONVFE-UHFFFAOYSA-N
XLogP7.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.76
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole
CID 19587079
3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole
CID 17025660
4-[1-(3,5-dichlorophenyl)-4-ethyl-3-(4-hydroxyphenyl)pyrazol-5-yl]phenol
CID 135693404
4-chloro-1-(3-chloro-4-methylphenyl)-3,5-bis(4-fluorophenyl)pyrazole
CID 19587540
4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 54241160
2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole
CID 19587292
4-chloro-1-(3-chloro-4-methylphenyl)-3,5-bis(3,4-dichlorophenyl)pyrazole
CID 17025515
1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 4988708
4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole
CID 19587233
4-bromo-1,3,5-tris(4-methylphenyl)pyrazole
CID 19586848
5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole
CID 15359150
3-(4-chlorophenyl)-2-(4-methylphenyl)indazole
CID 102171716

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole?
The IUPAC name of 4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole (CID 19587037) is 4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole.
What is the SMILES notation for 4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole?
The canonical SMILES for 4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole is Cc1ccc(-c2nn(-c3cc(Cl)cc(Cl)c3)c(-c3ccc(C)cc3)c2Cl)cc1.
What is the InChIKey of 4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole?
The InChIKey is GALAVELESONVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N2/c1-14-3-7-16(8-4-14)22-21(26)23(17-9-5-15(2)6-10-17)28(27-22)20-12-18(24)11-19(25)13-20/h3-13H,1-2H3.
What are the key properties of 4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole?
4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole has a molecular weight of 427.76 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole is sourced from PubChem (CID 19587037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).