N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine

C16H20N4O — CID 77053058

IUPACN-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCC(C)n1ccc(CN2CCC(=NO)c3ccccc32)n1
InChIInChI=1S/C16H20N4O/c1-12(2)20-10-7-13(17-20)11-19-9-8-15(18-21)14-5-3-4-6-16(14)19/h3-7,10,12,21H,8-9,11H2,1-2H3
InChIKeyJPJMYZJUDXHGNG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.05
Rot. Bonds3

About N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine

N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 77053058) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID77053058
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCC(C)n1ccc(CN2CCC(=NO)c3ccccc32)n1
InChIInChI=1S/C16H20N4O/c1-12(2)20-10-7-13(17-20)11-19-9-8-15(18-21)14-5-3-4-6-16(14)19/h3-7,10,12,21H,8-9,11H2,1-2H3
InChIKeyJPJMYZJUDXHGNG-UHFFFAOYSA-N
XLogP3.05
TPSA53.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182
3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894324
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442
1-Benzyl-4-(5-phenyl-pyrazol-1-yl)-piperidine
CID 21219154
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
1,3-Diphenyl-1H-pyrazole-4-carbaldehyde oxime
CID 5341356
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308006

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 77053058) is N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine is CC(C)n1ccc(CN2CCC(=NO)c3ccccc32)n1.
What is the InChIKey of N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is JPJMYZJUDXHGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(2)20-10-7-13(17-20)11-19-9-8-15(18-21)14-5-3-4-6-16(14)19/h3-7,10,12,21H,8-9,11H2,1-2H3.
What are the key properties of N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 284.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 77053058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).