5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine

C12H15N5O2 — CID 83269281

IUPAC5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine
SMILESCc1cnc(Nc2cnn(C(C)C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O2/c1-8(2)16-7-10(6-14-16)15-12-4-11(17(18)19)9(3)5-13-12/h4-8H,1-3H3,(H,13,15)
InChIKeyQNVVIDPXSSSAER-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.82
Rot. Bonds4

About 5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine

5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 83269281) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID83269281
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine
SMILESCc1cnc(Nc2cnn(C(C)C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O2/c1-8(2)16-7-10(6-14-16)15-12-4-11(17(18)19)9(3)5-13-12/h4-8H,1-3H3,(H,13,15)
InChIKeyQNVVIDPXSSSAER-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-nitro-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carbonitrile
CID 103471615
N-(4-chloro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 62902136
N-(4-fluoro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 115606693
N-(3-methoxy-4-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 63669987
N-(4-chloro-5-fluoro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 66079345
3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine
CID 66029667
N-(4-bromo-5-fluoro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 66112630
N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 62904621
6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 66328422
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine
CID 133343039
2-chloro-5-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide
CID 103730947
5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine
CID 83266661

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine (CID 83269281) is 5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine is Cc1cnc(Nc2cnn(C(C)C)c2)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is QNVVIDPXSSSAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8(2)16-7-10(6-14-16)15-12-4-11(17(18)19)9(3)5-13-12/h4-8H,1-3H3,(H,13,15).
What are the key properties of 5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine?
5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 83269281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).