1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide

C14H14N6O — CID 106773855

IUPAC1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide
SMILESNNc1ncc(C(=O)NCc2cn[nH]c2)c2ccccc12
InChIInChI=1S/C14H14N6O/c15-20-13-11-4-2-1-3-10(11)12(8-16-13)14(21)17-5-9-6-18-19-7-9/h1-4,6-8H,5,15H2,(H,16,20)(H,17,21)(H,18,19)
InChIKeyARGNEIGVIQNWOR-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.17
Rot. Bonds4

About 1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide

1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide (PubChem CID 106773855) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide
PubChem CID106773855
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide
SMILESNNc1ncc(C(=O)NCc2cn[nH]c2)c2ccccc12
InChIInChI=1S/C14H14N6O/c15-20-13-11-4-2-1-3-10(11)12(8-16-13)14(21)17-5-9-6-18-19-7-9/h1-4,6-8H,5,15H2,(H,16,20)(H,17,21)(H,18,19)
InChIKeyARGNEIGVIQNWOR-UHFFFAOYSA-N
XLogP1.17
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.17
H-Bond Donors ≤ 54
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 1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide (CID 106773855) is 1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide is NNc1ncc(C(=O)NCc2cn[nH]c2)c2ccccc12.
What is the InChIKey of 1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide?
The InChIKey is ARGNEIGVIQNWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-20-13-11-4-2-1-3-10(11)12(8-16-13)14(21)17-5-9-6-18-19-7-9/h1-4,6-8H,5,15H2,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of 1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide?
1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106773855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).