1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine

C12H16F3N5 — CID 63815562

IUPAC1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine
SMILESCc1nn(C)c(-n2ccc(C(F)(F)F)n2)c1CC(C)N
InChIInChI=1S/C12H16F3N5/c1-7(16)6-9-8(2)17-19(3)11(9)20-5-4-10(18-20)12(13,14)15/h4-5,7H,6,16H2,1-3H3
InChIKeyZPSONUXITLKHJH-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.82
Rot. Bonds3

About 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine

1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine (PubChem CID 63815562) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine
PubChem CID63815562
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine
SMILESCc1nn(C)c(-n2ccc(C(F)(F)F)n2)c1CC(C)N
InChIInChI=1S/C12H16F3N5/c1-7(16)6-9-8(2)17-19(3)11(9)20-5-4-10(18-20)12(13,14)15/h4-5,7H,6,16H2,1-3H3
InChIKeyZPSONUXITLKHJH-UHFFFAOYSA-N
XLogP1.82
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine (CID 63815562) is 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine is Cc1nn(C)c(-n2ccc(C(F)(F)F)n2)c1CC(C)N.
What is the InChIKey of 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine?
The InChIKey is ZPSONUXITLKHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-7(16)6-9-8(2)17-19(3)11(9)20-5-4-10(18-20)12(13,14)15/h4-5,7H,6,16H2,1-3H3.
What are the key properties of 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine?
1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine has a molecular weight of 287.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 63815562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).