4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole

C7H7F3N4 — CID 141290517

IUPAC4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole
SMILESFC(F)(F)N1C=CN(c2cn[nH]c2)C1
InChIInChI=1S/C7H7F3N4/c8-7(9,10)14-2-1-13(5-14)6-3-11-12-4-6/h1-4H,5H2,(H,11,12)
InChIKeySGTUMTPHBNIYAD-UHFFFAOYSA-N
MW204.16 g/mol
LogP1.48
Rot. Bonds1

About 4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole

4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole (PubChem CID 141290517) has the molecular formula C7H7F3N4 and a molecular weight of 204.16 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole
PubChem CID141290517
Molecular FormulaC7H7F3N4
Molecular Weight204.16 g/mol
Exact Mass204.06
IUPAC Name4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole
SMILESFC(F)(F)N1C=CN(c2cn[nH]c2)C1
InChIInChI=1S/C7H7F3N4/c8-7(9,10)14-2-1-13(5-14)6-3-11-12-4-6/h1-4H,5H2,(H,11,12)
InChIKeySGTUMTPHBNIYAD-UHFFFAOYSA-N
XLogP1.48
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 132087676
N-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 132109890
N-(trifluoromethyl)-1H-pyrazol-4-amine
CID 153675330
N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 175573093
1-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115583978
1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea
CID 130991878
1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea
CID 131084031
N-(4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-amine
CID 20312846
3-(1H-pyrazol-4-yl)-1H-imidazole-2-thione
CID 66668638
5-(1H-pyrazol-4-yl)imidazo[1,5-a][1,3,5]triazin-5-ium
CID 68181908
1-(1H-pyrazol-4-yl)-2H-pyrazin-6-amine
CID 141363098
1-(1H-pyrazol-4-yl)-2H-pyridin-6-amine
CID 141363118

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole?
The IUPAC name of 4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole (CID 141290517) is 4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole.
What is the SMILES notation for 4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole?
The canonical SMILES for 4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole is FC(F)(F)N1C=CN(c2cn[nH]c2)C1.
What is the InChIKey of 4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole?
The InChIKey is SGTUMTPHBNIYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4/c8-7(9,10)14-2-1-13(5-14)6-3-11-12-4-6/h1-4H,5H2,(H,11,12).
What are the key properties of 4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole?
4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole has a molecular weight of 204.16 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-2H-imidazol-1-yl]-1H-pyrazole is sourced from PubChem (CID 141290517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).