1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole

C13H9F3N4 — CID 22759813

IUPAC1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole
SMILESFC(F)(F)c1cnc(-c2cnn(-c3ccccc3)c2)[nH]1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)11-7-17-12(19-11)9-6-18-20(8-9)10-4-2-1-3-5-10/h1-8H,(H,17,19)
InChIKeyPVKCOWHNOINACG-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.28
Rot. Bonds2

About 1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole

1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole (PubChem CID 22759813) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole.

Molecular Properties

Compound Name1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole
PubChem CID22759813
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole
SMILESFC(F)(F)c1cnc(-c2cnn(-c3ccccc3)c2)[nH]1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)11-7-17-12(19-11)9-6-18-20(8-9)10-4-2-1-3-5-10/h1-8H,(H,17,19)
InChIKeyPVKCOWHNOINACG-UHFFFAOYSA-N
XLogP3.28
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole?
The IUPAC name of 1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole (CID 22759813) is 1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole.
What is the SMILES notation for 1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole?
The canonical SMILES for 1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole is FC(F)(F)c1cnc(-c2cnn(-c3ccccc3)c2)[nH]1.
What is the InChIKey of 1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole?
The InChIKey is PVKCOWHNOINACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-13(15,16)11-7-17-12(19-11)9-6-18-20(8-9)10-4-2-1-3-5-10/h1-8H,(H,17,19).
What are the key properties of 1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole?
1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole has a molecular weight of 278.24 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole is sourced from PubChem (CID 22759813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).