N-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine

C9H9N5O2 — CID 3822801

IUPACN-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine
SMILESCNc1c([N+](=O)[O-])cnn1-c1ccccn1
InChIInChI=1S/C9H9N5O2/c1-10-9-7(14(15)16)6-12-13(9)8-4-2-3-5-11-8/h2-6,10H,1H3
InChIKeyICJYIVZXMUSLDI-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.22
Rot. Bonds3

About N-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine

N-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine (PubChem CID 3822801) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine
PubChem CID3822801
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC NameN-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine
SMILESCNc1c([N+](=O)[O-])cnn1-c1ccccn1
InChIInChI=1S/C9H9N5O2/c1-10-9-7(14(15)16)6-12-13(9)8-4-2-3-5-11-8/h2-6,10H,1H3
InChIKeyICJYIVZXMUSLDI-UHFFFAOYSA-N
XLogP1.22
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.22
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of N-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine (CID 3822801) is N-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for N-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for N-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine is CNc1c([N+](=O)[O-])cnn1-c1ccccn1.
What is the InChIKey of N-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine?
The InChIKey is ICJYIVZXMUSLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-10-9-7(14(15)16)6-12-13(9)8-4-2-3-5-11-8/h2-6,10H,1H3.
What are the key properties of N-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine?
N-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine has a molecular weight of 219.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-1-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 3822801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).