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

C14H10N6S — CID 822955

IUPAC1-phenyl-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole
SMILESc1ccc(-n2nnnc2-c2cn[nH]c2-c2cccs2)cc1
InChIInChI=1S/C14H10N6S/c1-2-5-10(6-3-1)20-14(17-18-19-20)11-9-15-16-13(11)12-7-4-8-21-12/h1-9H,(H,15,16)
InChIKeyRARWKMCICVBCPC-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.78
Rot. Bonds3

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

1-phenyl-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole (PubChem CID 822955) has the molecular formula C14H10N6S and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-phenyl-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole.

Molecular Properties

Compound Name1-phenyl-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole
PubChem CID822955
Molecular FormulaC14H10N6S
Molecular Weight294.34 g/mol
Exact Mass294.07
IUPAC Name1-phenyl-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole
SMILESc1ccc(-n2nnnc2-c2cn[nH]c2-c2cccs2)cc1
InChIInChI=1S/C14H10N6S/c1-2-5-10(6-3-1)20-14(17-18-19-20)11-9-15-16-13(11)12-7-4-8-21-12/h1-9H,(H,15,16)
InChIKeyRARWKMCICVBCPC-UHFFFAOYSA-N
XLogP2.78
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole?
The IUPAC name of 1-phenyl-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole (CID 822955) is 1-phenyl-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole.
What is the SMILES notation for 1-phenyl-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole?
The canonical SMILES for 1-phenyl-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole is c1ccc(-n2nnnc2-c2cn[nH]c2-c2cccs2)cc1.
What is the InChIKey of 1-phenyl-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole?
The InChIKey is RARWKMCICVBCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6S/c1-2-5-10(6-3-1)20-14(17-18-19-20)11-9-15-16-13(11)12-7-4-8-21-12/h1-9H,(H,15,16).
What are the key properties of 1-phenyl-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole?
1-phenyl-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole has a molecular weight of 294.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole is sourced from PubChem (CID 822955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).