5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine

C8H15N3O — CID 66025269

IUPAC5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCOc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C8H15N3O/c1-5(2)11-8(12-4)7(9)6(3)10-11/h5H,9H2,1-4H3
InChIKeyLTQWEPBKZXYYPG-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.36
Rot. Bonds2

About 5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine

5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 66025269) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID66025269
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCOc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C8H15N3O/c1-5(2)11-8(12-4)7(9)6(3)10-11/h5H,9H2,1-4H3
InChIKeyLTQWEPBKZXYYPG-UHFFFAOYSA-N
XLogP1.36
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine (CID 66025269) is 5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine is COc1c(N)c(C)nn1C(C)C.
What is the InChIKey of 5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is LTQWEPBKZXYYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5(2)11-8(12-4)7(9)6(3)10-11/h5H,9H2,1-4H3.
What are the key properties of 5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine?
5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 169.23 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66025269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).