1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

C8H8F3N5 — CID 171789572

IUPAC1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1ccc(-n2nc(C(F)(F)F)cc2N)n1
InChIInChI=1S/C8H8F3N5/c1-15-3-2-7(14-15)16-6(12)4-5(13-16)8(9,10)11/h2-4H,12H2,1H3
InChIKeyKNOORTQKXHXJDM-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.21
Rot. Bonds1

About 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789572) has the molecular formula C8H8F3N5 and a molecular weight of 231.18 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789572
Molecular FormulaC8H8F3N5
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC Name1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1ccc(-n2nc(C(F)(F)F)cc2N)n1
InChIInChI=1S/C8H8F3N5/c1-15-3-2-7(14-15)16-6(12)4-5(13-16)8(9,10)11/h2-4H,12H2,1H3
InChIKeyKNOORTQKXHXJDM-UHFFFAOYSA-N
XLogP1.21
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (CID 171789572) is 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is Cn1ccc(-n2nc(C(F)(F)F)cc2N)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is KNOORTQKXHXJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5/c1-15-3-2-7(14-15)16-6(12)4-5(13-16)8(9,10)11/h2-4H,12H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 231.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).