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

C10H17F3N4 — CID 63310292

IUPAC1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine
SMILESCCN(CCCn1ccc(N)n1)CC(F)(F)F
InChIInChI=1S/C10H17F3N4/c1-2-16(8-10(11,12)13)5-3-6-17-7-4-9(14)15-17/h4,7H,2-3,5-6,8H2,1H3,(H2,14,15)
InChIKeyOXYVQKKEPMFJMN-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.74
Rot. Bonds6

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

1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine (PubChem CID 63310292) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine
PubChem CID63310292
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine
SMILESCCN(CCCn1ccc(N)n1)CC(F)(F)F
InChIInChI=1S/C10H17F3N4/c1-2-16(8-10(11,12)13)5-3-6-17-7-4-9(14)15-17/h4,7H,2-3,5-6,8H2,1H3,(H2,14,15)
InChIKeyOXYVQKKEPMFJMN-UHFFFAOYSA-N
XLogP1.74
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine (CID 63310292) is 1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine is CCN(CCCn1ccc(N)n1)CC(F)(F)F.
What is the InChIKey of 1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine?
The InChIKey is OXYVQKKEPMFJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-2-16(8-10(11,12)13)5-3-6-17-7-4-9(14)15-17/h4,7H,2-3,5-6,8H2,1H3,(H2,14,15).
What are the key properties of 1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine?
1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine has a molecular weight of 250.27 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine is sourced from PubChem (CID 63310292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).