1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole

C8H8F3N5 — CID 166267992

IUPAC1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole
SMILESCn1cc(-c2cnn(C)c2C(F)(F)F)nn1
InChIInChI=1S/C8H8F3N5/c1-15-4-6(13-14-15)5-3-12-16(2)7(5)8(9,10)11/h3-4H,1-2H3
InChIKeyILEDVFLIDZPLKV-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.23
Rot. Bonds1

About 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole

1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole (PubChem CID 166267992) has the molecular formula C8H8F3N5 and a molecular weight of 231.18 g/mol. Its IUPAC name is 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole.

Molecular Properties

Compound Name1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole
PubChem CID166267992
Molecular FormulaC8H8F3N5
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC Name1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole
SMILESCn1cc(-c2cnn(C)c2C(F)(F)F)nn1
InChIInChI=1S/C8H8F3N5/c1-15-4-6(13-14-15)5-3-12-16(2)7(5)8(9,10)11/h3-4H,1-2H3
InChIKeyILEDVFLIDZPLKV-UHFFFAOYSA-N
XLogP1.23
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]propan-1-amine
CID 19614643
3-(3-(1,3-dimethyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine
CID 19614685
US10155727, Example 83
CID 118864345
3-[1'-ethyl-5-(trifluoromethyl)-1H,1'H-3,4'-bipyrazol-1-yl]propan-1-amine
CID 19614698
3-(1'-Methyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
CID 19622699
3-[5-(1-Ethylpyrazol-4-yl)-3-(trifluoromethyl)pyrazolyl]propanenitrile
CID 25247419
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
CID 25247539
1,1'-Dimethyl-1H,1'H-[3,3']bipyrazolyl
CID 21724023
1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazol-4-amine dihydrochloride
CID 86775545
3-[1',5'-dimethyl-5-(trifluoromethyl)-1H,1'H-3,4'-bipyrazol-1-yl]propanenitrile
CID 19576717
3-[1'-ethyl-5-(trifluoromethyl)-1H,1'H-3,4'-bipyrazol-1-yl]propanenitrile
CID 19616898
N-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
CID 126841365

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole?
The IUPAC name of 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole (CID 166267992) is 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole.
What is the SMILES notation for 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole?
The canonical SMILES for 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole is Cn1cc(-c2cnn(C)c2C(F)(F)F)nn1.
What is the InChIKey of 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole?
The InChIKey is ILEDVFLIDZPLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5/c1-15-4-6(13-14-15)5-3-12-16(2)7(5)8(9,10)11/h3-4H,1-2H3.
What are the key properties of 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole?
1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole has a molecular weight of 231.18 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole is sourced from PubChem (CID 166267992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).