3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine

C11H13N5O2 — CID 112684451

IUPAC3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCCCn1cccn1
InChIInChI=1S/C11H13N5O2/c17-16(18)10-4-1-5-12-11(10)13-6-2-8-15-9-3-7-14-15/h1,3-5,7,9H,2,6,8H2,(H,12,13)
InChIKeyYKHPBCWYSIXZRC-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.69
Rot. Bonds6

About 3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine

3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine (PubChem CID 112684451) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
PubChem CID112684451
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCCCn1cccn1
InChIInChI=1S/C11H13N5O2/c17-16(18)10-4-1-5-12-11(10)13-6-2-8-15-9-3-7-14-15/h1,3-5,7,9H,2,6,8H2,(H,12,13)
InChIKeyYKHPBCWYSIXZRC-UHFFFAOYSA-N
XLogP1.69
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine 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

3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 61068526
6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 115714662
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310
3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine
CID 11361048
(5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione
CID 97212775
N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 115579994
3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80809598
6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808342
6-hydrazinyl-3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 80896602
5-methoxy-2-nitro-N-(3-pyrazol-1-ylpropyl)aniline
CID 115657029
N-[3-(methoxymethoxy)propyl]-3-nitropyridin-2-amine
CID 125423794

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine (CID 112684451) is 3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine is O=[N+]([O-])c1cccnc1NCCCn1cccn1.
What is the InChIKey of 3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine?
The InChIKey is YKHPBCWYSIXZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-16(18)10-4-1-5-12-11(10)13-6-2-8-15-9-3-7-14-15/h1,3-5,7,9H,2,6,8H2,(H,12,13).
What are the key properties of 3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine?
3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine has a molecular weight of 247.26 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 112684451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).