2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole

C13H12F3N5 — CID 86769272

IUPAC2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole
SMILESFC(F)(F)Cn1ccnc1Cn1cc(-n2cccc2)cn1
InChIInChI=1S/C13H12F3N5/c14-13(15,16)10-20-6-3-17-12(20)9-21-8-11(7-18-21)19-4-1-2-5-19/h1-8H,9-10H2
InChIKeyGMCZEQYCASVMJS-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.48
Rot. Bonds4

About 2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole

2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole (PubChem CID 86769272) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole.

Molecular Properties

Compound Name2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole
PubChem CID86769272
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole
SMILESFC(F)(F)Cn1ccnc1Cn1cc(-n2cccc2)cn1
InChIInChI=1S/C13H12F3N5/c14-13(15,16)10-20-6-3-17-12(20)9-21-8-11(7-18-21)19-4-1-2-5-19/h1-8H,9-10H2
InChIKeyGMCZEQYCASVMJS-UHFFFAOYSA-N
XLogP2.48
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole?
The IUPAC name of 2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole (CID 86769272) is 2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole.
What is the SMILES notation for 2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole?
The canonical SMILES for 2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole is FC(F)(F)Cn1ccnc1Cn1cc(-n2cccc2)cn1.
What is the InChIKey of 2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole?
The InChIKey is GMCZEQYCASVMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5/c14-13(15,16)10-20-6-3-17-12(20)9-21-8-11(7-18-21)19-4-1-2-5-19/h1-8H,9-10H2.
What are the key properties of 2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole?
2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole has a molecular weight of 295.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole is sourced from PubChem (CID 86769272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).