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

C12H15N5O2 — CID 103007831

IUPAC5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
SMILESCc1cnc(NCCc2ccnn2C)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O2/c1-9-8-14-12(7-11(9)17(18)19)13-5-3-10-4-6-15-16(10)2/h4,6-8H,3,5H2,1-2H3,(H,13,14)
InChIKeyKOZOUDRITIENNH-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.69
Rot. Bonds5

About 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine

5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine (PubChem CID 103007831) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
PubChem CID103007831
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
SMILESCc1cnc(NCCc2ccnn2C)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O2/c1-9-8-14-12(7-11(9)17(18)19)13-5-3-10-4-6-15-16(10)2/h4,6-8H,3,5H2,1-2H3,(H,13,14)
InChIKeyKOZOUDRITIENNH-UHFFFAOYSA-N
XLogP1.69
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.69
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

4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 79176407
5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 83267358
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 104696049
6-[2-(2-methylpyrazol-3-yl)ethylamino]-5-nitropyridine-3-carboxylic acid
CID 103007389
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 103007631
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 102608181
5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 83268380
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
N-[(4-bromophenyl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83266878
4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603
5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 83267804
6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 103007760

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine?
The IUPAC name of 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine (CID 103007831) is 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine?
The canonical SMILES for 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine is Cc1cnc(NCCc2ccnn2C)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine?
The InChIKey is KOZOUDRITIENNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9-8-14-12(7-11(9)17(18)19)13-5-3-10-4-6-15-16(10)2/h4,6-8H,3,5H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine?
5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine is sourced from PubChem (CID 103007831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).