[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

C16H22N4O — CID 105224746

IUPAC[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)C1Cc2ccccc21
InChIInChI=1S/C16H22N4O/c1-10(2)20-16(14(21-3)9-18-20)15(19-17)13-8-11-6-4-5-7-12(11)13/h4-7,9-10,13,15,19H,8,17H2,1-3H3
InChIKeyYFPWYXFWKAKZHT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.32
Rot. Bonds5

About [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105224746) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
PubChem CID105224746
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)C1Cc2ccccc21
InChIInChI=1S/C16H22N4O/c1-10(2)20-16(14(21-3)9-18-20)15(19-17)13-8-11-6-4-5-7-12(11)13/h4-7,9-10,13,15,19H,8,17H2,1-3H3
InChIKeyYFPWYXFWKAKZHT-UHFFFAOYSA-N
XLogP2.32
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.32
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-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methyl]hydrazine
CID 105234528
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114653289
[2,3-dihydro-1H-inden-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105234228
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255449
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methyl]hydrazine
CID 105200451
[2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105234135
[3,4-dihydro-2H-chromen-4-yl-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105233842
[2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
CID 105215710
[2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339391
[(2-bromo-4-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339550
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105224717
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105339522

Frequently Asked Questions

What is the IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (CID 105224746) is [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is COc1cnn(C(C)C)c1C(NN)C1Cc2ccccc21.
What is the InChIKey of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is YFPWYXFWKAKZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10(2)20-16(14(21-3)9-18-20)15(19-17)13-8-11-6-4-5-7-12(11)13/h4-7,9-10,13,15,19H,8,17H2,1-3H3.
What are the key properties of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 286.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105224746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).