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

C10H11N5O2 — CID 61068526

IUPAC3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCCn1cccn1
InChIInChI=1S/C10H11N5O2/c16-15(17)9-3-1-4-11-10(9)12-6-8-14-7-2-5-13-14/h1-5,7H,6,8H2,(H,11,12)
InChIKeySAWOEWJHQBNWID-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.30
Rot. Bonds5

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

3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine (PubChem CID 61068526) 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-2-amine.

Molecular Properties

Compound Name3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
PubChem CID61068526
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCCn1cccn1
InChIInChI=1S/C10H11N5O2/c16-15(17)9-3-1-4-11-10(9)12-6-8-14-7-2-5-13-14/h1-5,7H,6,8H2,(H,11,12)
InChIKeySAWOEWJHQBNWID-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-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112684451
3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80809598
6-hydrazinyl-3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 80896602
6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808342
3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 104507865
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 54951342
6-N-ethyl-5-nitro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80809506
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309
6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 115714662
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310
N-[2-(4-ethylphenyl)ethyl]-3-nitropyridin-2-amine
CID 133304898
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine
CID 115599538

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine?
The IUPAC name of 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine (CID 61068526) is 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine is O=[N+]([O-])c1cccnc1NCCn1cccn1.
What is the InChIKey of 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine?
The InChIKey is SAWOEWJHQBNWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c16-15(17)9-3-1-4-11-10(9)12-6-8-14-7-2-5-13-14/h1-5,7H,6,8H2,(H,11,12).
What are the key properties of 3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine?
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-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-2-amine is sourced from PubChem (CID 61068526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).