4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole

C9H9F3N4 — CID 141234892

IUPAC4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1CCn1ccnc1
InChIInChI=1S/C9H9F3N4/c10-9(11,12)8-7(5-14-15-8)1-3-16-4-2-13-6-16/h2,4-6H,1,3H2,(H,14,15)
InChIKeyYPGJOEWVSWIDFV-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.87
Rot. Bonds3

About 4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole

4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 141234892) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID141234892
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1CCn1ccnc1
InChIInChI=1S/C9H9F3N4/c10-9(11,12)8-7(5-14-15-8)1-3-16-4-2-13-6-16/h2,4-6H,1,3H2,(H,14,15)
InChIKeyYPGJOEWVSWIDFV-UHFFFAOYSA-N
XLogP1.87
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole (CID 141234892) is 4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1[nH]ncc1CCn1ccnc1.
What is the InChIKey of 4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is YPGJOEWVSWIDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c10-9(11,12)8-7(5-14-15-8)1-3-16-4-2-13-6-16/h2,4-6H,1,3H2,(H,14,15).
What are the key properties of 4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 230.19 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 141234892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).