2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole

C13H14N6 — CID 90029114

IUPAC2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole
SMILESCCn1nnc(-c2cnn(-c3ccc(C)cc3)c2)n1
InChIInChI=1S/C13H14N6/c1-3-19-16-13(15-17-19)11-8-14-18(9-11)12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3
InChIKeyLICMDOVIIWJRCL-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.85
Rot. Bonds3

About 2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole

2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole (PubChem CID 90029114) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole.

Molecular Properties

Compound Name2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole
PubChem CID90029114
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole
SMILESCCn1nnc(-c2cnn(-c3ccc(C)cc3)c2)n1
InChIInChI=1S/C13H14N6/c1-3-19-16-13(15-17-19)11-8-14-18(9-11)12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3
InChIKeyLICMDOVIIWJRCL-UHFFFAOYSA-N
XLogP1.85
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole?
The IUPAC name of 2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole (CID 90029114) is 2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole.
What is the SMILES notation for 2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole?
The canonical SMILES for 2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole is CCn1nnc(-c2cnn(-c3ccc(C)cc3)c2)n1.
What is the InChIKey of 2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole?
The InChIKey is LICMDOVIIWJRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-3-19-16-13(15-17-19)11-8-14-18(9-11)12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole?
2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole has a molecular weight of 254.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[1-(4-methylphenyl)pyrazol-4-yl]tetrazole is sourced from PubChem (CID 90029114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).