5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole

C19H15Cl3N6 — CID 24810791

IUPAC5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole
SMILESCCn1nnnc1-c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C19H15Cl3N6/c1-3-27-19(23-25-26-27)17-11(2)18(12-4-6-13(20)7-5-12)28(24-17)16-9-8-14(21)10-15(16)22/h4-10H,3H2,1-2H3
InChIKeyNLTAGXYTRBJPAD-UHFFFAOYSA-N
MW433.73 g/mol
LogP5.48
Rot. Bonds4

About 5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole

5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole (PubChem CID 24810791) has the molecular formula C19H15Cl3N6 and a molecular weight of 433.73 g/mol. Its IUPAC name is 5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole.

Molecular Properties

Compound Name5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole
PubChem CID24810791
Molecular FormulaC19H15Cl3N6
Molecular Weight433.73 g/mol
Exact Mass432.04
IUPAC Name5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole
SMILESCCn1nnnc1-c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C19H15Cl3N6/c1-3-27-19(23-25-26-27)17-11(2)18(12-4-6-13(20)7-5-12)28(24-17)16-9-8-14(21)10-15(16)22/h4-10H,3H2,1-2H3
InChIKeyNLTAGXYTRBJPAD-UHFFFAOYSA-N
XLogP5.48
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.73
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole?
The IUPAC name of 5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole (CID 24810791) is 5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole.
What is the SMILES notation for 5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole?
The canonical SMILES for 5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole is CCn1nnnc1-c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole?
The InChIKey is NLTAGXYTRBJPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N6/c1-3-27-19(23-25-26-27)17-11(2)18(12-4-6-13(20)7-5-12)28(24-17)16-9-8-14(21)10-15(16)22/h4-10H,3H2,1-2H3.
What are the key properties of 5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole?
5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole has a molecular weight of 433.73 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole is sourced from PubChem (CID 24810791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).