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

C10H11N5O2 — CID 83266661

IUPAC5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine
SMILESCc1cnc(Nc2ccn(C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2/c1-7-6-11-10(5-8(7)15(16)17)12-9-3-4-14(2)13-9/h3-6H,1-2H3,(H,11,12,13)
InChIKeyBRUFSBQYALBHJQ-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.78
Rot. Bonds3

About 5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine

5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine (PubChem CID 83266661) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine
PubChem CID83266661
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine
SMILESCc1cnc(Nc2ccn(C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2/c1-7-6-11-10(5-8(7)15(16)17)12-9-3-4-14(2)13-9/h3-6H,1-2H3,(H,11,12,13)
InChIKeyBRUFSBQYALBHJQ-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

1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine
CID 79779512
4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine
CID 79778692
N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine
CID 79779100
N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine
CID 115574116
N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine
CID 79778291
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
2-methyl-N-(1-methylpyrazol-3-yl)-6-nitro-1,3-benzothiazol-5-amine
CID 79781355
4-methyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 16962883
5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 83269281
6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-5-nitropyrimidine-4,6-diamine
CID 80850004
N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine
CID 79779709
N-(2-iodo-4-nitrophenyl)-1-methylpyrazol-3-amine
CID 79779397

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine?
The IUPAC name of 5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine (CID 83266661) is 5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine.
What is the SMILES notation for 5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine?
The canonical SMILES for 5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine is Cc1cnc(Nc2ccn(C)n2)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine?
The InChIKey is BRUFSBQYALBHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-7-6-11-10(5-8(7)15(16)17)12-9-3-4-14(2)13-9/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of 5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine?
5-methyl-N-(1-methylpyrazol-3-yl)-4-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 5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine is sourced from PubChem (CID 83266661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).