[1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine

C14H18F2N4O — CID 105291323

IUPAC[1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
SMILESCCn1cc(CC(NN)c2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C14H18F2N4O/c1-2-20-9-10(8-18-20)6-13(19-17)11-4-3-5-12(7-11)21-14(15)16/h3-5,7-9,13-14,19H,2,6,17H2,1H3
InChIKeyBDOIPWZZMSIRPO-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.25
Rot. Bonds7

About [1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine

[1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 105291323) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is [1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
PubChem CID105291323
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name[1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
SMILESCCn1cc(CC(NN)c2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C14H18F2N4O/c1-2-20-9-10(8-18-20)6-13(19-17)11-4-3-5-12(7-11)21-14(15)16/h3-5,7-9,13-14,19H,2,6,17H2,1H3
InChIKeyBDOIPWZZMSIRPO-UHFFFAOYSA-N
XLogP2.25
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.25
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

1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822923
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780549
1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol
CID 115780318
[1-(3-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105191715
[1-(2-chloro-4-pyridinyl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105252663
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
[1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329486
[1-[3-(difluoromethoxy)phenyl]-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066949
[(1-ethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191655
[1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105291272
[3-(1-ethylpyrazol-4-yl)-1-methoxy-1-phenylpropan-2-yl]hydrazine
CID 105279023
1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine
CID 105034670

Frequently Asked Questions

What is the IUPAC name of [1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine (CID 105291323) is [1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine is CCn1cc(CC(NN)c2cccc(OC(F)F)c2)cn1.
What is the InChIKey of [1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is BDOIPWZZMSIRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-2-20-9-10(8-18-20)6-13(19-17)11-4-3-5-12(7-11)21-14(15)16/h3-5,7-9,13-14,19H,2,6,17H2,1H3.
What are the key properties of [1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine?
[1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine has a molecular weight of 296.32 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105291323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).