N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine

C11H13N5O2 — CID 106105408

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
SMILESCn1ccc(CCNc2cc([N+](=O)[O-])ccn2)n1
InChIInChI=1S/C11H13N5O2/c1-15-7-4-9(14-15)2-5-12-11-8-10(16(17)18)3-6-13-11/h3-4,6-8H,2,5H2,1H3,(H,12,13)
InChIKeyCIYZDWIWYUWTBO-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.38
Rot. Bonds5

About N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine

N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine (PubChem CID 106105408) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
PubChem CID106105408
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
SMILESCn1ccc(CCNc2cc([N+](=O)[O-])ccn2)n1
InChIInChI=1S/C11H13N5O2/c1-15-7-4-9(14-15)2-5-12-11-8-10(16(17)18)3-6-13-11/h3-4,6-8H,2,5H2,1H3,(H,12,13)
InChIKeyCIYZDWIWYUWTBO-UHFFFAOYSA-N
XLogP1.38
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.38
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

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 55203063
methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate
CID 106105292
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 114186343
4-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 64530676
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine
CID 90921952
3-ethyl-1-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyrazol-5-amine
CID 104626425
4-[2-(1-methylpyrazol-3-yl)ethylamino]-2-nitrobenzonitrile
CID 106105147
2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide
CID 106106320
2-bromo-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitroaniline
CID 103269615
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104626521
N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62979922
N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 104626500

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine (CID 106105408) is N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine is Cn1ccc(CCNc2cc([N+](=O)[O-])ccn2)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine?
The InChIKey is CIYZDWIWYUWTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-15-7-4-9(14-15)2-5-12-11-8-10(16(17)18)3-6-13-11/h3-4,6-8H,2,5H2,1H3,(H,12,13).
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine?
N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine has a molecular weight of 247.26 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine is sourced from PubChem (CID 106105408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).