1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole

C17H13ClN6 — CID 2825884

IUPAC1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole
SMILESCc1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccccc1
InChIInChI=1S/C17H13ClN6/c1-12-16(11-19-23(12)14-5-3-2-4-6-14)17-20-21-22-24(17)15-9-7-13(18)8-10-15/h2-11H,1H3
InChIKeyOGXFOMYILQZEMT-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.48
Rot. Bonds3

About 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole

1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole (PubChem CID 2825884) has the molecular formula C17H13ClN6 and a molecular weight of 336.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole
PubChem CID2825884
Molecular FormulaC17H13ClN6
Molecular Weight336.79 g/mol
Exact Mass336.09
IUPAC Name1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole
SMILESCc1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccccc1
InChIInChI=1S/C17H13ClN6/c1-12-16(11-19-23(12)14-5-3-2-4-6-14)17-20-21-22-24(17)15-9-7-13(18)8-10-15/h2-11H,1H3
InChIKeyOGXFOMYILQZEMT-UHFFFAOYSA-N
XLogP3.48
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl)-1-phenyl-1H-tetrazol-5-amine
CID 2033394
1-Butyl-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]tetrazole
CID 24810180
5-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-pentyltetrazole
CID 24810182
5-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-octyltetrazole
CID 24810236
5-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyltetrazole
CID 24810791
5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl)-1-propyl-1H-tetrazole
CID 24855198
5-[1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)-1H-tetraazole
CID 1046800
5-chloro-N-(4-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)phenyl)-4-(1-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 54584564
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-(4-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-1,2,3,4-tetraazole
CID 1490715

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole (CID 2825884) is 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole is Cc1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole?
The InChIKey is OGXFOMYILQZEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6/c1-12-16(11-19-23(12)14-5-3-2-4-6-14)17-20-21-22-24(17)15-9-7-13(18)8-10-15/h2-11H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole?
1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole has a molecular weight of 336.79 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole is sourced from PubChem (CID 2825884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).