1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H18F3N3O — CID 103148123

IUPAC1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCn1nccc1C(N)CCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-2-6-17-10(3-5-16-17)9(15)4-7-18-8-11(12,13)14/h3,5,9H,2,4,6-8,15H2,1H3
InChIKeyNTIBLFKPWCYYOQ-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.26
Rot. Bonds7

About 1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148123) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148123
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCn1nccc1C(N)CCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-2-6-17-10(3-5-16-17)9(15)4-7-18-8-11(12,13)14/h3,5,9H,2,4,6-8,15H2,1H3
InChIKeyNTIBLFKPWCYYOQ-UHFFFAOYSA-N
XLogP2.26
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148123) is 1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCCn1nccc1C(N)CCOCC(F)(F)F.
What is the InChIKey of 1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is NTIBLFKPWCYYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-2-6-17-10(3-5-16-17)9(15)4-7-18-8-11(12,13)14/h3,5,9H,2,4,6-8,15H2,1H3.
What are the key properties of 1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 265.28 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).