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

C11H13N5O2 — CID 79176407

IUPAC4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine
SMILESCc1cc(NCc2ccnn2C)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O2/c1-8-5-11(13-7-10(8)16(17)18)12-6-9-3-4-14-15(9)2/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyIYAHQUWXPMVNFC-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.64
Rot. Bonds4

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

4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine (PubChem CID 79176407) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine
PubChem CID79176407
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine
SMILESCc1cc(NCc2ccnn2C)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O2/c1-8-5-11(13-7-10(8)16(17)18)12-6-9-3-4-14-15(9)2/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyIYAHQUWXPMVNFC-UHFFFAOYSA-N
XLogP1.64
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.64
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

5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 103007831
4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine
CID 103952381
4-methyl-N-[(5-methylthiophen-2-yl)methyl]-5-nitropyridin-2-amine
CID 79176589
4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 79173432
[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232424
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045034
N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 82739931
N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79174054
6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine
CID 103911595
5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 83267359
6-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 80914200
N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79173429

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine (CID 79176407) is 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine is Cc1cc(NCc2ccnn2C)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine?
The InChIKey is IYAHQUWXPMVNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8-5-11(13-7-10(8)16(17)18)12-6-9-3-4-14-15(9)2/h3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine?
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine has a molecular weight of 247.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 79176407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).