4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole

C9H9F3N4 — CID 91046467

IUPAC4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1cc(Cc2ncc[nH]2)c(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N4/c1-16-5-6(4-7-13-2-3-14-7)8(15-16)9(10,11)12/h2-3,5H,4H2,1H3,(H,13,14)
InChIKeyITZZJUSOWATNTQ-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.75
Rot. Bonds2

About 4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole

4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 91046467) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID91046467
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1cc(Cc2ncc[nH]2)c(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N4/c1-16-5-6(4-7-13-2-3-14-7)8(15-16)9(10,11)12/h2-3,5H,4H2,1H3,(H,13,14)
InChIKeyITZZJUSOWATNTQ-UHFFFAOYSA-N
XLogP1.75
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201490
4-N-methyl-2-N-[5-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191208
4-N-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191509
7-(1H-imidazol-2-ylmethyl)-N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 70751332
5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 73440525
(1S)-1-(1-methylimidazol-2-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]butan-1-amine
CID 52387428
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanamine
CID 53518216
4-[2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]-1-ethyl-3,5-dimethyl-1H-pyrazole
CID 70728746
N-[2-(1H-imidazol-4-yl)ethyl]-2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetamide
CID 77098054
(2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 95388298
N-methyl-1-(4-methyl-1H-imidazol-5-yl)-N-[(3-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 131943882
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 164637404

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole (CID 91046467) is 4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole is Cn1cc(Cc2ncc[nH]2)c(C(F)(F)F)n1.
What is the InChIKey of 4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is ITZZJUSOWATNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-16-5-6(4-7-13-2-3-14-7)8(15-16)9(10,11)12/h2-3,5H,4H2,1H3,(H,13,14).
What are the key properties of 4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 230.19 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 91046467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).