[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

C14H18F2N4O — CID 105219395

IUPAC[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)c1cc(F)ccc1F
InChIInChI=1S/C14H18F2N4O/c1-8(2)20-14(12(21-3)7-18-20)13(19-17)10-6-9(15)4-5-11(10)16/h4-8,13,19H,17H2,1-3H3
InChIKeyARPQODKPSCIOTH-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.30
Rot. Bonds5

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

[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105219395) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is [(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
PubChem CID105219395
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)c1cc(F)ccc1F
InChIInChI=1S/C14H18F2N4O/c1-8(2)20-14(12(21-3)7-18-20)13(19-17)10-6-9(15)4-5-11(10)16/h4-8,13,19H,17H2,1-3H3
InChIKeyARPQODKPSCIOTH-UHFFFAOYSA-N
XLogP2.30
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of [(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (CID 105219395) is [(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is COc1cnn(C(C)C)c1C(NN)c1cc(F)ccc1F.
What is the InChIKey of [(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is ARPQODKPSCIOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-8(2)20-14(12(21-3)7-18-20)13(19-17)10-6-9(15)4-5-11(10)16/h4-8,13,19H,17H2,1-3H3.
What are the key properties of [(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 296.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105219395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).