5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole

C17H14N6O — CID 73425900

IUPAC5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C17H14N6O/c1-24-14-9-7-12(8-10-14)16-15(17-18-21-22-19-17)11-23(20-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,21,22)
InChIKeyMWQOBKPEIAFPNA-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.73
Rot. Bonds4

About 5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole

5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole (PubChem CID 73425900) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole
PubChem CID73425900
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C17H14N6O/c1-24-14-9-7-12(8-10-14)16-15(17-18-21-22-19-17)11-23(20-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,21,22)
InChIKeyMWQOBKPEIAFPNA-UHFFFAOYSA-N
XLogP2.73
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-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 5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole (CID 73425900) is 5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole?
The InChIKey is MWQOBKPEIAFPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-24-14-9-7-12(8-10-14)16-15(17-18-21-22-19-17)11-23(20-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,21,22).
What are the key properties of 5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole?
5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole has a molecular weight of 318.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 73425900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).