5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole

C11H7F3N6 — CID 146170631

IUPAC5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole
SMILESFC(F)(F)c1ccc(-n2cc(-c3nn[nH]n3)cn2)cc1
InChIInChI=1S/C11H7F3N6/c12-11(13,14)8-1-3-9(4-2-8)20-6-7(5-15-20)10-16-18-19-17-10/h1-6H,(H,16,17,18,19)
InChIKeyDIINLTRTDLGADN-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.07
Rot. Bonds2

About 5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole

5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole (PubChem CID 146170631) has the molecular formula C11H7F3N6 and a molecular weight of 280.21 g/mol. Its IUPAC name is 5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole
PubChem CID146170631
Molecular FormulaC11H7F3N6
Molecular Weight280.21 g/mol
Exact Mass280.07
IUPAC Name5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole
SMILESFC(F)(F)c1ccc(-n2cc(-c3nn[nH]n3)cn2)cc1
InChIInChI=1S/C11H7F3N6/c12-11(13,14)8-1-3-9(4-2-8)20-6-7(5-15-20)10-16-18-19-17-10/h1-6H,(H,16,17,18,19)
InChIKeyDIINLTRTDLGADN-UHFFFAOYSA-N
XLogP2.07
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole (CID 146170631) is 5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole is FC(F)(F)c1ccc(-n2cc(-c3nn[nH]n3)cn2)cc1.
What is the InChIKey of 5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole?
The InChIKey is DIINLTRTDLGADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6/c12-11(13,14)8-1-3-9(4-2-8)20-6-7(5-15-20)10-16-18-19-17-10/h1-6H,(H,16,17,18,19).
What are the key properties of 5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole?
5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole has a molecular weight of 280.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 146170631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).