[1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

C11H19F3N4O — CID 103151691

IUPAC[1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESCCCn1nccc1C(CCOCC(F)(F)F)NN
InChIInChI=1S/C11H19F3N4O/c1-2-6-18-10(3-5-16-18)9(17-15)4-7-19-8-11(12,13)14/h3,5,9,17H,2,4,6-8,15H2,1H3
InChIKeyVXFQEDDCDOTISX-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.77
Rot. Bonds8

About [1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

[1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (PubChem CID 103151691) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is [1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
PubChem CID103151691
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC Name[1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESCCCn1nccc1C(CCOCC(F)(F)F)NN
InChIInChI=1S/C11H19F3N4O/c1-2-6-18-10(3-5-16-18)9(17-15)4-7-19-8-11(12,13)14/h3,5,9,17H,2,4,6-8,15H2,1H3
InChIKeyVXFQEDDCDOTISX-UHFFFAOYSA-N
XLogP1.77
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-methoxy-1-(2-propylpyrazol-3-yl)propyl]hydrazine
CID 105206275
N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215294
[3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butyl]hydrazine
CID 103025317
1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147479
[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105306916
[3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)propyl]hydrazine
CID 103312805
4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 79952578
[2-cyclopropyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105254012
[2-ethyl-2-methoxy-1-(2-propylpyrazol-3-yl)butyl]hydrazine
CID 105275317
N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475633
[2-cyclopentyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105307026
(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 104941104

Frequently Asked Questions

What is the IUPAC name of [1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (CID 103151691) is [1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is CCCn1nccc1C(CCOCC(F)(F)F)NN.
What is the InChIKey of [1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The InChIKey is VXFQEDDCDOTISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-2-6-18-10(3-5-16-18)9(17-15)4-7-19-8-11(12,13)14/h3,5,9,17H,2,4,6-8,15H2,1H3.
What are the key properties of [1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
[1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine has a molecular weight of 280.29 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 103151691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).