5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole

C18H14Cl2N6 — CID 71083606

IUPAC5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole
SMILESCc1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(-c2nnnn2C)cc1
InChIInChI=1S/C18H14Cl2N6/c1-11-10-21-26(16-8-7-14(19)9-15(16)20)17(11)12-3-5-13(6-4-12)18-22-23-24-25(18)2/h3-10H,1-2H3
InChIKeyHNEVHHUFKKMAQO-UHFFFAOYSA-N
MW385.26 g/mol
LogP4.35
Rot. Bonds3

About 5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole

5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole (PubChem CID 71083606) has the molecular formula C18H14Cl2N6 and a molecular weight of 385.26 g/mol. Its IUPAC name is 5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole.

Molecular Properties

Compound Name5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole
PubChem CID71083606
Molecular FormulaC18H14Cl2N6
Molecular Weight385.26 g/mol
Exact Mass384.07
IUPAC Name5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole
SMILESCc1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(-c2nnnn2C)cc1
InChIInChI=1S/C18H14Cl2N6/c1-11-10-21-26(16-8-7-14(19)9-15(16)20)17(11)12-3-5-13(6-4-12)18-22-23-24-25(18)2/h3-10H,1-2H3
InChIKeyHNEVHHUFKKMAQO-UHFFFAOYSA-N
XLogP4.35
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole?
The IUPAC name of 5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole (CID 71083606) is 5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole.
What is the SMILES notation for 5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole?
The canonical SMILES for 5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole is Cc1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(-c2nnnn2C)cc1.
What is the InChIKey of 5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole?
The InChIKey is HNEVHHUFKKMAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N6/c1-11-10-21-26(16-8-7-14(19)9-15(16)20)17(11)12-3-5-13(6-4-12)18-22-23-24-25(18)2/h3-10H,1-2H3.
What are the key properties of 5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole?
5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole has a molecular weight of 385.26 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole is sourced from PubChem (CID 71083606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).