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

C11H17F3N4 — CID 63310350

IUPAC1-[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine
SMILESNc1ccn(CCCN(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H17F3N4/c12-11(13,14)8-17(9-2-3-9)5-1-6-18-7-4-10(15)16-18/h4,7,9H,1-3,5-6,8H2,(H2,15,16)
InChIKeyHRPSVXBUWDRMIE-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.88
Rot. Bonds6

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

1-[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine (PubChem CID 63310350) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine
PubChem CID63310350
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name1-[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine
SMILESNc1ccn(CCCN(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H17F3N4/c12-11(13,14)8-17(9-2-3-9)5-1-6-18-7-4-10(15)16-18/h4,7,9H,1-3,5-6,8H2,(H2,15,16)
InChIKeyHRPSVXBUWDRMIE-UHFFFAOYSA-N
XLogP1.88
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine (CID 63310350) is 1-[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine is Nc1ccn(CCCN(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 1-[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine?
The InChIKey is HRPSVXBUWDRMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c12-11(13,14)8-17(9-2-3-9)5-1-6-18-7-4-10(15)16-18/h4,7,9H,1-3,5-6,8H2,(H2,15,16).
What are the key properties of 1-[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine?
1-[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine has a molecular weight of 262.28 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine is sourced from PubChem (CID 63310350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).