5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine

C8H15N3O — CID 112711300

IUPAC5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine
SMILESCNc1cc(OC)n(C(C)C)n1
InChIInChI=1S/C8H15N3O/c1-6(2)11-8(12-4)5-7(9-3)10-11/h5-6H,1-4H3,(H,9,10)
InChIKeyPHERJVCYSVWBEG-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.51
Rot. Bonds3

About 5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine

5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine (PubChem CID 112711300) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine
PubChem CID112711300
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine
SMILESCNc1cc(OC)n(C(C)C)n1
InChIInChI=1S/C8H15N3O/c1-6(2)11-8(12-4)5-7(9-3)10-11/h5-6H,1-4H3,(H,9,10)
InChIKeyPHERJVCYSVWBEG-UHFFFAOYSA-N
XLogP1.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of 5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine (CID 112711300) is 5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine is CNc1cc(OC)n(C(C)C)n1.
What is the InChIKey of 5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine?
The InChIKey is PHERJVCYSVWBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)11-8(12-4)5-7(9-3)10-11/h5-6H,1-4H3,(H,9,10).
What are the key properties of 5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine?
5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine has a molecular weight of 169.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 112711300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).