1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine

C9H12N6O2 — CID 43554326

IUPAC1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(Nc2cnn(C)c2)c1[N+](=O)[O-]
InChIInChI=1S/C9H12N6O2/c1-6-8(15(16)17)9(14(3)12-6)11-7-4-10-13(2)5-7/h4-5,11H,1-3H3
InChIKeyWMILWUVOMIOVKM-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.11
Rot. Bonds3

About 1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine

1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine (PubChem CID 43554326) has the molecular formula C9H12N6O2 and a molecular weight of 236.24 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine
PubChem CID43554326
Molecular FormulaC9H12N6O2
Molecular Weight236.24 g/mol
Exact Mass236.10
IUPAC Name1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(Nc2cnn(C)c2)c1[N+](=O)[O-]
InChIInChI=1S/C9H12N6O2/c1-6-8(15(16)17)9(14(3)12-6)11-7-4-10-13(2)5-7/h4-5,11H,1-3H3
InChIKeyWMILWUVOMIOVKM-UHFFFAOYSA-N
XLogP1.11
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine (CID 43554326) is 1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine is Cc1nn(C)c(Nc2cnn(C)c2)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine?
The InChIKey is WMILWUVOMIOVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-6-8(15(16)17)9(14(3)12-6)11-7-4-10-13(2)5-7/h4-5,11H,1-3H3.
What are the key properties of 1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine?
1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine has a molecular weight of 236.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-amine is sourced from PubChem (CID 43554326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).