5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine

C9H18N4O — CID 66027938

IUPAC5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCON(C)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C9H18N4O/c1-6(2)13-9(12(4)14-5)8(10)7(3)11-13/h6H,10H2,1-5H3
InChIKeyPXGCNYNOXOBQIC-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.35
Rot. Bonds3

About 5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66027938) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66027938
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCON(C)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C9H18N4O/c1-6(2)13-9(12(4)14-5)8(10)7(3)11-13/h6H,10H2,1-5H3
InChIKeyPXGCNYNOXOBQIC-UHFFFAOYSA-N
XLogP1.35
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66027938) is 5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine is CON(C)c1c(N)c(C)nn1C(C)C.
What is the InChIKey of 5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is PXGCNYNOXOBQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-6(2)13-9(12(4)14-5)8(10)7(3)11-13/h6H,10H2,1-5H3.
What are the key properties of 5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 198.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66027938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).