2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole

C8H7F3N4 — CID 91544987

IUPAC2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(Cc2ccn[nH]2)[nH]1
InChIInChI=1S/C8H7F3N4/c9-8(10,11)6-4-12-7(14-6)3-5-1-2-13-15-5/h1-2,4H,3H2,(H,12,14)(H,13,15)
InChIKeyQKVPHOLQHZTLCQ-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.74
Rot. Bonds2

About 2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole

2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 91544987) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID91544987
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(Cc2ccn[nH]2)[nH]1
InChIInChI=1S/C8H7F3N4/c9-8(10,11)6-4-12-7(14-6)3-5-1-2-13-15-5/h1-2,4H,3H2,(H,12,14)(H,13,15)
InChIKeyQKVPHOLQHZTLCQ-UHFFFAOYSA-N
XLogP1.74
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-(3-(4-(trifluoromethyl)-1H-imidazol-2-yl)-1H-pyrazol-4-yl)vinyl)pyridine
CID 136104460
2-(1H-pyrazol-5-yl)-1H-imidazole-5-carbonitrile
CID 136144099
Imidazolylpyrazole
CID 136029224
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56868741
2-(1H-Pyrazol-3-YL)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56869565
1-Butyl-2-[(1-methylimidazol-2-yl)methyl]-3-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine
CID 71865972
5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 138008337
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 164637404
1-[1-[4-(1H-imidazol-5-yl)butyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20451308
1-phenyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole
CID 22759813
1-phenyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole
CID 57668488
1-(5-tert-butyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-triazole
CID 58370413

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole (CID 91544987) is 2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1cnc(Cc2ccn[nH]2)[nH]1.
What is the InChIKey of 2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is QKVPHOLQHZTLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c9-8(10,11)6-4-12-7(14-6)3-5-1-2-13-15-5/h1-2,4H,3H2,(H,12,14)(H,13,15).
What are the key properties of 2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole?
2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 216.17 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 91544987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).