1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole

C8H7F3N4 — CID 58898667

IUPAC1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole
SMILESCn1ccnc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C8H7F3N4/c1-15-3-2-12-7(15)5-4-6(14-13-5)8(9,10)11/h2-4H,1H3,(H,13,14)
InChIKeyDZRSZAUQICLEHS-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.83
Rot. Bonds1

About 1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole

1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole (PubChem CID 58898667) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole
PubChem CID58898667
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole
SMILESCn1ccnc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C8H7F3N4/c1-15-3-2-12-7(15)5-4-6(14-13-5)8(9,10)11/h2-4H,1H3,(H,13,14)
InChIKeyDZRSZAUQICLEHS-UHFFFAOYSA-N
XLogP1.83
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 71685845
Imidazolylpyrazole
CID 136029224
2-(1H-Pyrazol-3-YL)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56869565
N-[(4-chloro-3-methyl-1H-pyrazol-5-yl)methyl]-2-(1H-imidazol-1-yl)-N-methylethanamine
CID 74244430
2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole
CID 95218470
1-phenyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole
CID 57668488
1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole
CID 90725865
4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 91046467
5-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 91412649
2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
CID 91544987
2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine
CID 101912459
5-(1-Isopropyl-1H-imidazole-2-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 102456257

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole?
The IUPAC name of 1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole (CID 58898667) is 1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole.
What is the SMILES notation for 1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole?
The canonical SMILES for 1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole is Cn1ccnc1-c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole?
The InChIKey is DZRSZAUQICLEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c1-15-3-2-12-7(15)5-4-6(14-13-5)8(9,10)11/h2-4H,1H3,(H,13,14).
What are the key properties of 1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole?
1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole has a molecular weight of 216.17 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole is sourced from PubChem (CID 58898667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).