[isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine

C14H15N5 — CID 103140117

IUPAC[isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine
SMILESCn1ccc(C(NN)c2nccc3ccccc23)n1
InChIInChI=1S/C14H15N5/c1-19-9-7-12(18-19)14(17-15)13-11-5-3-2-4-10(11)6-8-16-13/h2-9,14,17H,15H2,1H3
InChIKeyLDJLNCAIVSLQML-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.52
Rot. Bonds3

About [isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine

[isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine (PubChem CID 103140117) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is [isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine
PubChem CID103140117
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name[isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine
SMILESCn1ccc(C(NN)c2nccc3ccccc23)n1
InChIInChI=1S/C14H15N5/c1-19-9-7-12(18-19)14(17-15)13-11-5-3-2-4-10(11)6-8-16-13/h2-9,14,17H,15H2,1H3
InChIKeyLDJLNCAIVSLQML-UHFFFAOYSA-N
XLogP1.52
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.52
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

[isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine
CID 105220571
[1-(1-methylpyrazol-3-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105228713
[(1-methylpyrazol-3-yl)-(1,3-thiazol-4-yl)methyl]hydrazine
CID 103140481
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine
CID 103135765
[(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228610
N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134392
[(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine
CID 105220642
1-isoquinolin-1-ylpentylhydrazine
CID 105220521
N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 103130771
[(3-methylfuran-2-yl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140615
4-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]-1-methylpyrazol-5-amine
CID 103140235
[[3-(2-methylpropyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228854

Frequently Asked Questions

What is the IUPAC name of [isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine (CID 103140117) is [isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine is Cn1ccc(C(NN)c2nccc3ccccc23)n1.
What is the InChIKey of [isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is LDJLNCAIVSLQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-19-9-7-12(18-19)14(17-15)13-11-5-3-2-4-10(11)6-8-16-13/h2-9,14,17H,15H2,1H3.
What are the key properties of [isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine?
[isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine has a molecular weight of 253.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 103140117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).