N-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine

C18H17N5O — CID 135505774

IUPACN-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine
SMILESCn1cc(-c2ccc3c(c2)CCN=C3NO)c(-c2ccncc2)n1
InChIInChI=1S/C18H17N5O/c1-23-11-16(17(21-23)12-4-7-19-8-5-12)13-2-3-15-14(10-13)6-9-20-18(15)22-24/h2-5,7-8,10-11,24H,6,9H2,1H3,(H,20,22)
InChIKeyOHZUFQGNOLPVKE-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.43
Rot. Bonds2

About N-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine

N-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine (PubChem CID 135505774) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine.

Molecular Properties

Compound NameN-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine
PubChem CID135505774
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine
SMILESCn1cc(-c2ccc3c(c2)CCN=C3NO)c(-c2ccncc2)n1
InChIInChI=1S/C18H17N5O/c1-23-11-16(17(21-23)12-4-7-19-8-5-12)13-2-3-15-14(10-13)6-9-20-18(15)22-24/h2-5,7-8,10-11,24H,6,9H2,1H3,(H,20,22)
InChIKeyOHZUFQGNOLPVKE-UHFFFAOYSA-N
XLogP2.43
TPSA75.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine?
The IUPAC name of N-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine (CID 135505774) is N-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine.
What is the SMILES notation for N-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine?
The canonical SMILES for N-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine is Cn1cc(-c2ccc3c(c2)CCN=C3NO)c(-c2ccncc2)n1.
What is the InChIKey of N-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine?
The InChIKey is OHZUFQGNOLPVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-23-11-16(17(21-23)12-4-7-19-8-5-12)13-2-3-15-14(10-13)6-9-20-18(15)22-24/h2-5,7-8,10-11,24H,6,9H2,1H3,(H,20,22).
What are the key properties of N-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine?
N-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine has a molecular weight of 319.37 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-yl]hydroxylamine is sourced from PubChem (CID 135505774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).