4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole

C15H18F3N7 — CID 72864490

IUPAC4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole
SMILESCc1cc(C(F)(F)F)n(CC(C)Cn2cc(-c3nccn3C)nn2)n1
InChIInChI=1S/C15H18F3N7/c1-10(8-25-13(15(16,17)18)6-11(2)21-25)7-24-9-12(20-22-24)14-19-4-5-23(14)3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyAKDDGASSJSRNRB-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.54
Rot. Bonds5

About 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole

4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole (PubChem CID 72864490) has the molecular formula C15H18F3N7 and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole
PubChem CID72864490
Molecular FormulaC15H18F3N7
Molecular Weight353.35 g/mol
Exact Mass353.16
IUPAC Name4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole
SMILESCc1cc(C(F)(F)F)n(CC(C)Cn2cc(-c3nccn3C)nn2)n1
InChIInChI=1S/C15H18F3N7/c1-10(8-25-13(15(16,17)18)6-11(2)21-25)7-24-9-12(20-22-24)14-19-4-5-23(14)3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyAKDDGASSJSRNRB-UHFFFAOYSA-N
XLogP2.54
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-{1-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56904821
2-{1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56908814
2-{1-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56909304
2-{1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine dihydrochloride
CID 70715313
5-(1-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-1,2,3-triazol-4-yl)pyrimidine
CID 72850565
1-[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazole
CID 72866156
3-(Imidazol-1-ylmethyl)-1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 97519203
2-{1-[2-(1-pyrrolidinyl)ethyl]-1H-imidazol-2-yl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine dihydrochloride
CID 70719648
2-{1-[(1-ethyl-2-pyrrolidinyl)methyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 70785822
1-[(1-allyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidine
CID 72900960
4-(1,3-dimethyl-1H-pyrazol-5-yl)-3-[2-(1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole
CID 56704701
1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1'-isopropyl-1H,1'H-2,2'-biimidazole
CID 56867218

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole?
The IUPAC name of 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole (CID 72864490) is 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole is Cc1cc(C(F)(F)F)n(CC(C)Cn2cc(-c3nccn3C)nn2)n1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole?
The InChIKey is AKDDGASSJSRNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N7/c1-10(8-25-13(15(16,17)18)6-11(2)21-25)7-24-9-12(20-22-24)14-19-4-5-23(14)3/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole?
4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole has a molecular weight of 353.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole is sourced from PubChem (CID 72864490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).