2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

C14H29N5O2 — CID 105336045

IUPAC2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1cnn(CCN(C)C)c1C(CCC(C)OC)NN
InChIInChI=1S/C14H29N5O2/c1-11(20-4)6-7-12(17-15)14-13(21-5)10-16-19(14)9-8-18(2)3/h10-12,17H,6-9,15H2,1-5H3
InChIKeyCPNQWDWXLXWLKZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.77
Rot. Bonds10

About 2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105336045) has the molecular formula C14H29N5O2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105336045
Molecular FormulaC14H29N5O2
Molecular Weight299.42 g/mol
Exact Mass299.23
IUPAC Name2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1cnn(CCN(C)C)c1C(CCC(C)OC)NN
InChIInChI=1S/C14H29N5O2/c1-11(20-4)6-7-12(17-15)14-13(21-5)10-16-19(14)9-8-18(2)3/h10-12,17H,6-9,15H2,1-5H3
InChIKeyCPNQWDWXLXWLKZ-UHFFFAOYSA-N
XLogP0.77
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105225559
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
2-[4-methoxy-5-(2,2,2-trifluoro-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105215882
2-[5-[1-hydrazinyl-2-(oxolan-2-yl)ethyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105198802
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylpentan-1-amine
CID 105039863
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-propan-2-yloxyethanol
CID 105127519
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114653881
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methoxybutan-1-ol
CID 114643797
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine
CID 114649780
[4-chloro-1-(4-methoxy-1-propylpyrazol-5-yl)butyl]hydrazine
CID 105235649
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine
CID 114651696
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylbutan-1-amine
CID 114651722

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (CID 105336045) is 2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is COc1cnn(CCN(C)C)c1C(CCC(C)OC)NN.
What is the InChIKey of 2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is CPNQWDWXLXWLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O2/c1-11(20-4)6-7-12(17-15)14-13(21-5)10-16-19(14)9-8-18(2)3/h10-12,17H,6-9,15H2,1-5H3.
What are the key properties of 2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 299.42 g/mol, XLogP of 0.77, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105336045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).