[2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine

C9H15F3N4O — CID 105215710

IUPAC[2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)C(F)(F)F
InChIInChI=1S/C9H15F3N4O/c1-5(2)16-7(6(17-3)4-14-16)8(15-13)9(10,11)12/h4-5,8,15H,13H2,1-3H3
InChIKeyNVROLJMBFDUWEN-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.54
Rot. Bonds4

About [2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine

[2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine (PubChem CID 105215710) has the molecular formula C9H15F3N4O and a molecular weight of 252.24 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
PubChem CID105215710
Molecular FormulaC9H15F3N4O
Molecular Weight252.24 g/mol
Exact Mass252.12
IUPAC Name[2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)C(F)(F)F
InChIInChI=1S/C9H15F3N4O/c1-5(2)16-7(6(17-3)4-14-16)8(15-13)9(10,11)12/h4-5,8,15H,13H2,1-3H3
InChIKeyNVROLJMBFDUWEN-UHFFFAOYSA-N
XLogP1.54
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-methoxy-5-(2,2,2-trifluoro-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105215882
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105339522
2,2-difluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 103517190
[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105219395
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methyl]hydrazine
CID 105200451
[(2-bromo-4-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339550
[(3-fluoro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105201541
2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105047293
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211346
[(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339573
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658533
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245533

Frequently Asked Questions

What is the IUPAC name of [2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine?
The IUPAC name of [2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine (CID 105215710) is [2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine is COc1cnn(C(C)C)c1C(NN)C(F)(F)F.
What is the InChIKey of [2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine?
The InChIKey is NVROLJMBFDUWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O/c1-5(2)16-7(6(17-3)4-14-16)8(15-13)9(10,11)12/h4-5,8,15H,13H2,1-3H3.
What are the key properties of [2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine?
[2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine has a molecular weight of 252.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105215710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).