4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine

C10H11N5O2 — CID 79778692

IUPAC4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine
SMILESCc1ccnc(Nc2ccn(C)n2)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2/c1-7-3-5-11-10(9(7)15(16)17)12-8-4-6-14(2)13-8/h3-6H,1-2H3,(H,11,12,13)
InChIKeyMRZRUZYZPBCHBG-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.78
Rot. Bonds3

About 4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine

4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine (PubChem CID 79778692) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine
PubChem CID79778692
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine
SMILESCc1ccnc(Nc2ccn(C)n2)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2/c1-7-3-5-11-10(9(7)15(16)17)12-8-4-6-14(2)13-8/h3-6H,1-2H3,(H,11,12,13)
InChIKeyMRZRUZYZPBCHBG-UHFFFAOYSA-N
XLogP1.78
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.78
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

6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-5-nitropyrimidine-4,6-diamine
CID 80850004
5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine
CID 83266661
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132
1,1-dimethyl-2-(4-methyl-3-nitro-2-pyridinyl)hydrazine
CID 83025448
N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine
CID 79779100
1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine
CID 79779512
4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 78966269
N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine
CID 83026251
N-(1-methylpyrazol-3-yl)-6-nitroquinazolin-4-amine
CID 79781354
3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid
CID 105382475
N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine
CID 115574116
4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine
CID 127265038

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine (CID 79778692) is 4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine is Cc1ccnc(Nc2ccn(C)n2)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine?
The InChIKey is MRZRUZYZPBCHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-7-3-5-11-10(9(7)15(16)17)12-8-4-6-14(2)13-8/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of 4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine?
4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine has a molecular weight of 233.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 79778692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).