5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine

C13H11N5O2 — CID 61284113

IUPAC5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine
SMILESO=[N+]([O-])c1c(NCc2ccn[nH]2)ccc2ncccc12
InChIInChI=1S/C13H11N5O2/c19-18(20)13-10-2-1-6-14-11(10)3-4-12(13)15-8-9-5-7-16-17-9/h1-7,15H,8H2,(H,16,17)
InChIKeyURAHHJWSGUGQHU-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.48
Rot. Bonds4

About 5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine

5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine (PubChem CID 61284113) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine.

Molecular Properties

Compound Name5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine
PubChem CID61284113
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine
SMILESO=[N+]([O-])c1c(NCc2ccn[nH]2)ccc2ncccc12
InChIInChI=1S/C13H11N5O2/c19-18(20)13-10-2-1-6-14-11(10)3-4-12(13)15-8-9-5-7-16-17-9/h1-7,15H,8H2,(H,16,17)
InChIKeyURAHHJWSGUGQHU-UHFFFAOYSA-N
XLogP2.48
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
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CID 79488548
N'-(5-nitroquinolin-6-yl)-N-phenylpropane-1,3-diamine
CID 86938939
6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
CID 103918121
5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine
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CID 115658506
N-(1,3-benzodioxol-4-ylmethyl)-5-nitroquinolin-6-amine
CID 75404815
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
CID 43809964
8-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-4-amine
CID 83066852
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine
CID 104577066
5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine
CID 62540611

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine?
The IUPAC name of 5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine (CID 61284113) is 5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine.
What is the SMILES notation for 5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine?
The canonical SMILES for 5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine is O=[N+]([O-])c1c(NCc2ccn[nH]2)ccc2ncccc12.
What is the InChIKey of 5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine?
The InChIKey is URAHHJWSGUGQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c19-18(20)13-10-2-1-6-14-11(10)3-4-12(13)15-8-9-5-7-16-17-9/h1-7,15H,8H2,(H,16,17).
What are the key properties of 5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine?
5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine has a molecular weight of 269.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine is sourced from PubChem (CID 61284113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).