1-(2-methoxybutyl)-4-methylpyrazol-3-amine

C9H17N3O — CID 165479453

IUPAC1-(2-methoxybutyl)-4-methylpyrazol-3-amine
SMILESCCC(Cn1cc(C)c(N)n1)OC
InChIInChI=1S/C9H17N3O/c1-4-8(13-3)6-12-5-7(2)9(10)11-12/h5,8H,4,6H2,1-3H3,(H2,10,11)
InChIKeyLTYWOGZLDWVMEW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds4

About 1-(2-methoxybutyl)-4-methylpyrazol-3-amine

1-(2-methoxybutyl)-4-methylpyrazol-3-amine (PubChem CID 165479453) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-methoxybutyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(2-methoxybutyl)-4-methylpyrazol-3-amine
PubChem CID165479453
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(2-methoxybutyl)-4-methylpyrazol-3-amine
SMILESCCC(Cn1cc(C)c(N)n1)OC
InChIInChI=1S/C9H17N3O/c1-4-8(13-3)6-12-5-7(2)9(10)11-12/h5,8H,4,6H2,1-3H3,(H2,10,11)
InChIKeyLTYWOGZLDWVMEW-UHFFFAOYSA-N
XLogP1.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxybutyl)-4-methylpyrazol-3-amine?
The IUPAC name of 1-(2-methoxybutyl)-4-methylpyrazol-3-amine (CID 165479453) is 1-(2-methoxybutyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-(2-methoxybutyl)-4-methylpyrazol-3-amine?
The canonical SMILES for 1-(2-methoxybutyl)-4-methylpyrazol-3-amine is CCC(Cn1cc(C)c(N)n1)OC.
What is the InChIKey of 1-(2-methoxybutyl)-4-methylpyrazol-3-amine?
The InChIKey is LTYWOGZLDWVMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-8(13-3)6-12-5-7(2)9(10)11-12/h5,8H,4,6H2,1-3H3,(H2,10,11).
What are the key properties of 1-(2-methoxybutyl)-4-methylpyrazol-3-amine?
1-(2-methoxybutyl)-4-methylpyrazol-3-amine has a molecular weight of 183.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxybutyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 165479453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).