1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine

C14H17N5O2 — CID 62096525

IUPAC1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine
SMILESCN1CCCc2cc(Cn3ncc([N+](=O)[O-])c3N)ccc21
InChIInChI=1S/C14H17N5O2/c1-17-6-2-3-11-7-10(4-5-12(11)17)9-18-14(15)13(8-16-18)19(20)21/h4-5,7-8H,2-3,6,9,15H2,1H3
InChIKeySNWAZZFWRMKJDR-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.80
Rot. Bonds3

About 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine

1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine (PubChem CID 62096525) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine
PubChem CID62096525
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine
SMILESCN1CCCc2cc(Cn3ncc([N+](=O)[O-])c3N)ccc21
InChIInChI=1S/C14H17N5O2/c1-17-6-2-3-11-7-10(4-5-12(11)17)9-18-14(15)13(8-16-18)19(20)21/h4-5,7-8H,2-3,6,9,15H2,1H3
InChIKeySNWAZZFWRMKJDR-UHFFFAOYSA-N
XLogP1.80
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine?
The IUPAC name of 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine (CID 62096525) is 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine.
What is the SMILES notation for 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine?
The canonical SMILES for 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine is CN1CCCc2cc(Cn3ncc([N+](=O)[O-])c3N)ccc21.
What is the InChIKey of 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine?
The InChIKey is SNWAZZFWRMKJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-17-6-2-3-11-7-10(4-5-12(11)17)9-18-14(15)13(8-16-18)19(20)21/h4-5,7-8H,2-3,6,9,15H2,1H3.
What are the key properties of 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine?
1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine has a molecular weight of 287.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine is sourced from PubChem (CID 62096525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).