5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole

C18H11Cl2F3N6 — CID 4655550

IUPAC5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cnn(-c3ccc(Cl)cc3Cl)c2C(F)(F)F)cc1
InChIInChI=1S/C18H11Cl2F3N6/c1-10-2-5-12(6-3-10)28-17(25-26-27-28)13-9-24-29(16(13)18(21,22)23)15-7-4-11(19)8-14(15)20/h2-9H,1H3
InChIKeyFZFXFMMFRPZFCF-UHFFFAOYSA-N
MW439.23 g/mol
LogP5.15
Rot. Bonds3

About 5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole

5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole (PubChem CID 4655550) has the molecular formula C18H11Cl2F3N6 and a molecular weight of 439.23 g/mol. Its IUPAC name is 5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
PubChem CID4655550
Molecular FormulaC18H11Cl2F3N6
Molecular Weight439.23 g/mol
Exact Mass438.04
IUPAC Name5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cnn(-c3ccc(Cl)cc3Cl)c2C(F)(F)F)cc1
InChIInChI=1S/C18H11Cl2F3N6/c1-10-2-5-12(6-3-10)28-17(25-26-27-28)13-9-24-29(16(13)18(21,22)23)15-7-4-11(19)8-14(15)20/h2-9H,1H3
InChIKeyFZFXFMMFRPZFCF-UHFFFAOYSA-N
XLogP5.15
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.23
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
CID 1046800
2-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65455837
5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole
CID 822895
5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole
CID 71083606
1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole
CID 2799603
4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine
CID 2825682
4-chloro-2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61352440
5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole
CID 27056234
5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine
CID 61353056
5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61377400
2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65454889
1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole
CID 736210

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
The IUPAC name of 5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole (CID 4655550) is 5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole.
What is the SMILES notation for 5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
The canonical SMILES for 5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole is Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(Cl)cc3Cl)c2C(F)(F)F)cc1.
What is the InChIKey of 5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
The InChIKey is FZFXFMMFRPZFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F3N6/c1-10-2-5-12(6-3-10)28-17(25-26-27-28)13-9-24-29(16(13)18(21,22)23)15-7-4-11(19)8-14(15)20/h2-9H,1H3.
What are the key properties of 5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole has a molecular weight of 439.23 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole is sourced from PubChem (CID 4655550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).