1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine

C11H11N7 — CID 2806155

IUPAC1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine
SMILESCc1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1
InChIInChI=1S/C11H11N7/c1-7-2-4-8(5-3-7)18-10(12)9(6-13-18)11-14-16-17-15-11/h2-6H,12H2,1H3,(H,14,15,16,17)
InChIKeyVEHZZZANODUOAU-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.94
Rot. Bonds2

About 1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine

1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine (PubChem CID 2806155) has the molecular formula C11H11N7 and a molecular weight of 241.26 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine
PubChem CID2806155
Molecular FormulaC11H11N7
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine
SMILESCc1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1
InChIInChI=1S/C11H11N7/c1-7-2-4-8(5-3-7)18-10(12)9(6-13-18)11-14-16-17-15-11/h2-6H,12H2,1H3,(H,14,15,16,17)
InChIKeyVEHZZZANODUOAU-UHFFFAOYSA-N
XLogP0.94
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine?
The IUPAC name of 1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine (CID 2806155) is 1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine?
The canonical SMILES for 1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine is Cc1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine?
The InChIKey is VEHZZZANODUOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7/c1-7-2-4-8(5-3-7)18-10(12)9(6-13-18)11-14-16-17-15-11/h2-6H,12H2,1H3,(H,14,15,16,17).
What are the key properties of 1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine?
1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine has a molecular weight of 241.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine is sourced from PubChem (CID 2806155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).