4-imidazol-1-yl-1-(trifluoromethyl)pyrazole

C7H5F3N4 — CID 175919908

IUPAC4-imidazol-1-yl-1-(trifluoromethyl)pyrazole
SMILESFC(F)(F)n1cc(-n2ccnc2)cn1
InChIInChI=1S/C7H5F3N4/c8-7(9,10)14-4-6(3-12-14)13-2-1-11-5-13/h1-5H
InChIKeyKDVHRKVFCWGMTK-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.55
Rot. Bonds1

About 4-imidazol-1-yl-1-(trifluoromethyl)pyrazole

4-imidazol-1-yl-1-(trifluoromethyl)pyrazole (PubChem CID 175919908) has the molecular formula C7H5F3N4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-imidazol-1-yl-1-(trifluoromethyl)pyrazole
PubChem CID175919908
Molecular FormulaC7H5F3N4
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Name4-imidazol-1-yl-1-(trifluoromethyl)pyrazole
SMILESFC(F)(F)n1cc(-n2ccnc2)cn1
InChIInChI=1S/C7H5F3N4/c8-7(9,10)14-4-6(3-12-14)13-2-1-11-5-13/h1-5H
InChIKeyKDVHRKVFCWGMTK-UHFFFAOYSA-N
XLogP1.55
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-(trifluoromethyl)pyrazole?
The IUPAC name of 4-imidazol-1-yl-1-(trifluoromethyl)pyrazole (CID 175919908) is 4-imidazol-1-yl-1-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-imidazol-1-yl-1-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-imidazol-1-yl-1-(trifluoromethyl)pyrazole is FC(F)(F)n1cc(-n2ccnc2)cn1.
What is the InChIKey of 4-imidazol-1-yl-1-(trifluoromethyl)pyrazole?
The InChIKey is KDVHRKVFCWGMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4/c8-7(9,10)14-4-6(3-12-14)13-2-1-11-5-13/h1-5H.
What are the key properties of 4-imidazol-1-yl-1-(trifluoromethyl)pyrazole?
4-imidazol-1-yl-1-(trifluoromethyl)pyrazole has a molecular weight of 202.14 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-(trifluoromethyl)pyrazole is sourced from PubChem (CID 175919908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).