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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Related Compounds

1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
5-Amino-1-(p-tolyl)pyrazole-4-carbonitrile
CID 2800424
5-Amino-1-(3-methylphenyl)-1H-pyrazole-4-carbonitrile
CID 660367
4-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2764841
4-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2764845
5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile
CID 79256
5-(1-(3-fluorophenyl)-1H-pyrazol-4-yl)-2H-tetrazole
CID 71604900
5-amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile
CID 11735990
5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 822943
5-(5-amino-1-phenyl-1H-pyrazol-4-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 848885
5-[1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)-1H-tetraazole
CID 1046800
4-(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazol-5-ylamine
CID 1472680

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).