1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole

C17H14N6 — CID 2729163

IUPAC1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C17H14N6/c1-12-7-9-14(10-8-12)23-17(20-21-22-23)15-11-18-19-16(15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)
InChIKeyCAZSRNZBWISASD-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.03
Rot. Bonds3

About 1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole

1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole (PubChem CID 2729163) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole
PubChem CID2729163
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C17H14N6/c1-12-7-9-14(10-8-12)23-17(20-21-22-23)15-11-18-19-16(15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)
InChIKeyCAZSRNZBWISASD-UHFFFAOYSA-N
XLogP3.03
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylphenyl)-5-(5-phenyl-1H-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

Related Compounds

4,6-dimethyl-2-{(2E)-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}pyrimidine
CID 135654413
N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 135569777
5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 822943
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
N-methyl-N-{[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-pyrazol-4-yl)ethanamine
CID 16191671
1-(4-methylphenyl)-4-(2H-1,2,3,4-tetraazol-5-yl)-1H-pyrazol-5-amine
CID 2806155
5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818189
5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 1046796
5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)-1H-tetraazole
CID 1046816
1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-tetraazole
CID 1210219
1-Phenyl-5-[5-(trifluoromethyl)pyrazol-4-yl]-1,2,3,4-tetraazole
CID 2825791

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole?
The IUPAC name of 1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole (CID 2729163) is 1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole.
What is the SMILES notation for 1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole?
The canonical SMILES for 1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole is Cc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole?
The InChIKey is CAZSRNZBWISASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-12-7-9-14(10-8-12)23-17(20-21-22-23)15-11-18-19-16(15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19).
What are the key properties of 1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole?
1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole has a molecular weight of 302.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole is sourced from PubChem (CID 2729163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).