[[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine

C14H18F2N4O — CID 105288469

IUPAC[[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2ccccc2OC(F)F)cn1
InChIInChI=1S/C14H18F2N4O/c1-2-7-20-9-10(8-18-20)13(19-17)11-5-3-4-6-12(11)21-14(15)16/h3-6,8-9,13-14,19H,2,7,17H2,1H3
InChIKeyIOMABGLHKBXTLD-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.45
Rot. Bonds7

About [[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine

[[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105288469) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is [[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine
PubChem CID105288469
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name[[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2ccccc2OC(F)F)cn1
InChIInChI=1S/C14H18F2N4O/c1-2-7-20-9-10(8-18-20)13(19-17)11-5-3-4-6-12(11)21-14(15)16/h3-6,8-9,13-14,19H,2,7,17H2,1H3
InChIKeyIOMABGLHKBXTLD-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
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

[[4-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288522
[(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105217842
[(1-propylpyrazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196444
N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 55181521
[(2,5-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288509
[(4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105194305
[[2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288032
[(4-fluoro-3-methoxyphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288515
[(3-fluoro-4-methoxyphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288596
[(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105288436
4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline
CID 105263459
[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208089

Frequently Asked Questions

What is the IUPAC name of [[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine (CID 105288469) is [[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine is CCCn1cc(C(NN)c2ccccc2OC(F)F)cn1.
What is the InChIKey of [[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is IOMABGLHKBXTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-2-7-20-9-10(8-18-20)13(19-17)11-5-3-4-6-12(11)21-14(15)16/h3-6,8-9,13-14,19H,2,7,17H2,1H3.
What are the key properties of [[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine?
[[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 296.32 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105288469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).