1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole

C15H12N6S — CID 135889230

IUPAC1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cn[nH]c2-c2cccs2)cc1
InChIInChI=1S/C15H12N6S/c1-10-4-6-11(7-5-10)21-15(18-19-20-21)12-9-16-17-14(12)13-3-2-8-22-13/h2-9H,1H3,(H,16,17)
InChIKeyXSBBGXIIEOIKMO-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.09
Rot. Bonds3

About 1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole

1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole (PubChem CID 135889230) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole
PubChem CID135889230
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC Name1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cn[nH]c2-c2cccs2)cc1
InChIInChI=1S/C15H12N6S/c1-10-4-6-11(7-5-10)21-15(18-19-20-21)12-9-16-17-14(12)13-3-2-8-22-13/h2-9H,1H3,(H,16,17)
InChIKeyXSBBGXIIEOIKMO-UHFFFAOYSA-N
XLogP3.09
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole
CID 2729163
5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole
CID 27056234
4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine
CID 1046859
1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole
CID 736210
2-[1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46824444
5-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
CID 1046800
2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline
CID 102706325
2-(3,5-dichlorophenyl)-5-(1-phenyltetrazol-5-yl)-4-thiophen-2-ylpyrimidine
CID 27183279
4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine
CID 11836171
5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
CID 2825873
4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 135889222
3-(5-thiophen-2-yltetrazol-1-yl)benzenesulfonic acid
CID 141086571

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole?
The IUPAC name of 1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole (CID 135889230) is 1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole.
What is the SMILES notation for 1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole?
The canonical SMILES for 1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole is Cc1ccc(-n2nnnc2-c2cn[nH]c2-c2cccs2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole?
The InChIKey is XSBBGXIIEOIKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c1-10-4-6-11(7-5-10)21-15(18-19-20-21)12-9-16-17-14(12)13-3-2-8-22-13/h2-9H,1H3,(H,16,17).
What are the key properties of 1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole?
1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole has a molecular weight of 308.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole is sourced from PubChem (CID 135889230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).