1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine

C11H19F3N4 — CID 63310352

IUPAC1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine
SMILESCC(C)N(CCCn1ccc(N)n1)CC(F)(F)F
InChIInChI=1S/C11H19F3N4/c1-9(2)17(8-11(12,13)14)5-3-6-18-7-4-10(15)16-18/h4,7,9H,3,5-6,8H2,1-2H3,(H2,15,16)
InChIKeyBRUCWCUOEFJIJE-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.13
Rot. Bonds6

About 1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine

1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine (PubChem CID 63310352) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine
PubChem CID63310352
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC Name1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine
SMILESCC(C)N(CCCn1ccc(N)n1)CC(F)(F)F
InChIInChI=1S/C11H19F3N4/c1-9(2)17(8-11(12,13)14)5-3-6-18-7-4-10(15)16-18/h4,7,9H,3,5-6,8H2,1-2H3,(H2,15,16)
InChIKeyBRUCWCUOEFJIJE-UHFFFAOYSA-N
XLogP2.13
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine (CID 63310352) is 1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine is CC(C)N(CCCn1ccc(N)n1)CC(F)(F)F.
What is the InChIKey of 1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine?
The InChIKey is BRUCWCUOEFJIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-9(2)17(8-11(12,13)14)5-3-6-18-7-4-10(15)16-18/h4,7,9H,3,5-6,8H2,1-2H3,(H2,15,16).
What are the key properties of 1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine?
1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine has a molecular weight of 264.29 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine is sourced from PubChem (CID 63310352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).