2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole

C19H18N6 — CID 90029398

IUPAC2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole
SMILESCc1cccc(-n2cc(-c3nnn(Cc4ccccc4)n3)cn2)c1C
InChIInChI=1S/C19H18N6/c1-14-7-6-10-18(15(14)2)24-13-17(11-20-24)19-21-23-25(22-19)12-16-8-4-3-5-9-16/h3-11,13H,12H2,1-2H3
InChIKeyUQIDUDBTIBMASL-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.19
Rot. Bonds4

About 2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole

2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole (PubChem CID 90029398) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole.

Molecular Properties

Compound Name2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole
PubChem CID90029398
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole
SMILESCc1cccc(-n2cc(-c3nnn(Cc4ccccc4)n3)cn2)c1C
InChIInChI=1S/C19H18N6/c1-14-7-6-10-18(15(14)2)24-13-17(11-20-24)19-21-23-25(22-19)12-16-8-4-3-5-9-16/h3-11,13H,12H2,1-2H3
InChIKeyUQIDUDBTIBMASL-UHFFFAOYSA-N
XLogP3.19
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole?
The IUPAC name of 2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole (CID 90029398) is 2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole.
What is the SMILES notation for 2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole?
The canonical SMILES for 2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole is Cc1cccc(-n2cc(-c3nnn(Cc4ccccc4)n3)cn2)c1C.
What is the InChIKey of 2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole?
The InChIKey is UQIDUDBTIBMASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-14-7-6-10-18(15(14)2)24-13-17(11-20-24)19-21-23-25(22-19)12-16-8-4-3-5-9-16/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole?
2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole has a molecular weight of 330.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole is sourced from PubChem (CID 90029398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).