ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

C11H16F3N5 — CID 171789586

IUPACethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCC.Cc1c(C(F)(F)F)nn(-c2ccn(C)n2)c1N
InChIInChI=1S/C9H10F3N5.C2H6/c1-5-7(9(10,11)12)15-17(8(5)13)6-3-4-16(2)14-6;1-2/h3-4H,13H2,1-2H3;1-2H3
InChIKeyXWWUSVGCLPKNAC-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.54
Rot. Bonds1

About ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789586) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Nameethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789586
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC Nameethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCC.Cc1c(C(F)(F)F)nn(-c2ccn(C)n2)c1N
InChIInChI=1S/C9H10F3N5.C2H6/c1-5-7(9(10,11)12)15-17(8(5)13)6-3-4-16(2)14-6;1-2/h3-4H,13H2,1-2H3;1-2H3
InChIKeyXWWUSVGCLPKNAC-UHFFFAOYSA-N
XLogP2.54
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (CID 171789586) is ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is CC.Cc1c(C(F)(F)F)nn(-c2ccn(C)n2)c1N.
What is the InChIKey of ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is XWWUSVGCLPKNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5.C2H6/c1-5-7(9(10,11)12)15-17(8(5)13)6-3-4-16(2)14-6;1-2/h3-4H,13H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 275.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).