N-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine

C12H15N5O2 — CID 80857066

IUPACN-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(-n2ccc(C(C)C)n2)n1
InChIInChI=1S/C12H15N5O2/c1-8(2)9-6-7-16(15-9)12-10(17(18)19)4-5-11(13-3)14-12/h4-8H,1-3H3,(H,13,14)
InChIKeyBJBDZFHKTLMCAD-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.34
Rot. Bonds4

About N-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine

N-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine (PubChem CID 80857066) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine
PubChem CID80857066
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(-n2ccc(C(C)C)n2)n1
InChIInChI=1S/C12H15N5O2/c1-8(2)9-6-7-16(15-9)12-10(17(18)19)4-5-11(13-3)14-12/h4-8H,1-3H3,(H,13,14)
InChIKeyBJBDZFHKTLMCAD-UHFFFAOYSA-N
XLogP2.34
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.34
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

N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine
CID 80803212
N-methyl-5-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-2-amine
CID 80851114
6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine
CID 81136870
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80766974
N-ethyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine
CID 80857998
6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80779221
N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine
CID 80790379
6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine
CID 80840944
(1R)-1-[4-nitro-5-(3-propan-2-ylpyrazol-1-yl)thiophen-2-yl]ethanol
CID 103942135
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 81469195
N-methyl-5-nitro-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-2-amine
CID 80834541
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-nitropyridin-2-amine
CID 80751116

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine?
The IUPAC name of N-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine (CID 80857066) is N-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine is CNc1ccc([N+](=O)[O-])c(-n2ccc(C(C)C)n2)n1.
What is the InChIKey of N-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine?
The InChIKey is BJBDZFHKTLMCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8(2)9-6-7-16(15-9)12-10(17(18)19)4-5-11(13-3)14-12/h4-8H,1-3H3,(H,13,14).
What are the key properties of N-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine?
N-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 80857066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).