ethane;1-methyl-4-(trifluoromethyl)pyrazole

C7H11F3N2 — CID 145172818

IUPACethane;1-methyl-4-(trifluoromethyl)pyrazole
SMILESCC.Cn1cc(C(F)(F)F)cn1
InChIInChI=1S/C5H5F3N2.C2H6/c1-10-3-4(2-9-10)5(6,7)8;1-2/h2-3H,1H3;1-2H3
InChIKeyULHVVIJKZJNPHB-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.47
Rot. Bonds

About ethane;1-methyl-4-(trifluoromethyl)pyrazole

ethane;1-methyl-4-(trifluoromethyl)pyrazole (PubChem CID 145172818) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is ethane;1-methyl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Nameethane;1-methyl-4-(trifluoromethyl)pyrazole
PubChem CID145172818
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Nameethane;1-methyl-4-(trifluoromethyl)pyrazole
SMILESCC.Cn1cc(C(F)(F)F)cn1
InChIInChI=1S/C5H5F3N2.C2H6/c1-10-3-4(2-9-10)5(6,7)8;1-2/h2-3H,1H3;1-2H3
InChIKeyULHVVIJKZJNPHB-UHFFFAOYSA-N
XLogP2.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-fluoro-1-methylpyrazole
CID 177338163
(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 95396406
4-(trifluoromethyl)pyrazol-1-amine
CID 66968628
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol
CID 172879520
2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline
CID 167459732
2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid
CID 82412575
1-pentyl-4-(trifluoromethyl)pyrazole
CID 173052071
1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 130705017
2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol
CID 114865466
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
ethane;4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 145417662

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(trifluoromethyl)pyrazole?
The IUPAC name of ethane;1-methyl-4-(trifluoromethyl)pyrazole (CID 145172818) is ethane;1-methyl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for ethane;1-methyl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for ethane;1-methyl-4-(trifluoromethyl)pyrazole is CC.Cn1cc(C(F)(F)F)cn1.
What is the InChIKey of ethane;1-methyl-4-(trifluoromethyl)pyrazole?
The InChIKey is ULHVVIJKZJNPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2.C2H6/c1-10-3-4(2-9-10)5(6,7)8;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(trifluoromethyl)pyrazole?
ethane;1-methyl-4-(trifluoromethyl)pyrazole has a molecular weight of 180.17 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 145172818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).