2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine

C9H14N4O2 — CID 2805422

IUPAC2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine
SMILESCc1c([N+](=O)[O-])c(C=CN(C)C)nn1C
InChIInChI=1S/C9H14N4O2/c1-7-9(13(14)15)8(10-12(7)4)5-6-11(2)3/h5-6H,1-4H3
InChIKeyBGIAMSDXBXSVOK-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.17
Rot. Bonds3

About 2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine

2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine (PubChem CID 2805422) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine
PubChem CID2805422
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine
SMILESCc1c([N+](=O)[O-])c(C=CN(C)C)nn1C
InChIInChI=1S/C9H14N4O2/c1-7-9(13(14)15)8(10-12(7)4)5-6-11(2)3/h5-6H,1-4H3
InChIKeyBGIAMSDXBXSVOK-UHFFFAOYSA-N
XLogP1.17
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine?
The IUPAC name of 2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine (CID 2805422) is 2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine.
What is the SMILES notation for 2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine?
The canonical SMILES for 2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine is Cc1c([N+](=O)[O-])c(C=CN(C)C)nn1C.
What is the InChIKey of 2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine?
The InChIKey is BGIAMSDXBXSVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7-9(13(14)15)8(10-12(7)4)5-6-11(2)3/h5-6H,1-4H3.
What are the key properties of 2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine?
2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine has a molecular weight of 210.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine is sourced from PubChem (CID 2805422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).