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

C11H13N5O2 — CID 103894571

IUPACN-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1Nc1cn(C)nc1C
InChIInChI=1S/C11H13N5O2/c1-7-4-9(16(17)18)5-12-11(7)13-10-6-15(3)14-8(10)2/h4-6H,1-3H3,(H,12,13)
InChIKeySGFVTQYEQLAMRT-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.08
Rot. Bonds3

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

N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine (PubChem CID 103894571) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine
PubChem CID103894571
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1Nc1cn(C)nc1C
InChIInChI=1S/C11H13N5O2/c1-7-4-9(16(17)18)5-12-11(7)13-10-6-15(3)14-8(10)2/h4-6H,1-3H3,(H,12,13)
InChIKeySGFVTQYEQLAMRT-UHFFFAOYSA-N
XLogP2.08
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.08
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

2-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-nitropyrimidin-4-amine
CID 114043451
N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine
CID 104917704
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine
CID 103908160
1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine
CID 62475699
2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine
CID 102803615
1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine
CID 102805986
3-N-(3-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 55081029
3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine
CID 83025553
3-[(1,3-dimethylpyrazol-4-yl)amino]-4-nitrobenzonitrile
CID 104858232
N-(4-bromo-5-fluoro-2-nitrophenyl)-1,3-dimethylpyrazol-4-amine
CID 102806102
1-N,1-N,3-trimethyl-2-N-(3-methyl-5-nitro-2-pyridinyl)butane-1,2-diamine
CID 55080504
2-methyl-4-[(3-methyl-5-nitro-2-pyridinyl)amino]benzoic acid
CID 62476845

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine (CID 103894571) is N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1Nc1cn(C)nc1C.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine?
The InChIKey is SGFVTQYEQLAMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7-4-9(16(17)18)5-12-11(7)13-10-6-15(3)14-8(10)2/h4-6H,1-3H3,(H,12,13).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine?
N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine has a molecular weight of 247.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 103894571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).