3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine

C10H11N5O2 — CID 54951342

IUPAC3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCCn1cccn1
InChIInChI=1S/C10H11N5O2/c16-15(17)10-8-11-4-2-9(10)12-5-7-14-6-1-3-13-14/h1-4,6,8H,5,7H2,(H,11,12)
InChIKeyMSJAMIFSFBGGNU-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.30
Rot. Bonds5

About 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine

3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine (PubChem CID 54951342) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine
PubChem CID54951342
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCCn1cccn1
InChIInChI=1S/C10H11N5O2/c16-15(17)10-8-11-4-2-9(10)12-5-7-14-6-1-3-13-14/h1-4,6,8H,5,7H2,(H,11,12)
InChIKeyMSJAMIFSFBGGNU-UHFFFAOYSA-N
XLogP1.30
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.30
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'}

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Related Compounds

3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine
CID 113375064
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 61068526
3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine
CID 113234717
N-(3-imidazol-1-ylpropyl)-3-nitropyridin-4-amine
CID 28994217
N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine
CID 61211864
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80809598
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222
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
N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitropyridin-4-amine
CID 134098351
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine?
The IUPAC name of 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine (CID 54951342) is 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine.
What is the SMILES notation for 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine?
The canonical SMILES for 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine is O=[N+]([O-])c1cnccc1NCCn1cccn1.
What is the InChIKey of 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine?
The InChIKey is MSJAMIFSFBGGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c16-15(17)10-8-11-4-2-9(10)12-5-7-14-6-1-3-13-14/h1-4,6,8H,5,7H2,(H,11,12).
What are the key properties of 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine?
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine has a molecular weight of 233.23 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine is sourced from PubChem (CID 54951342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).