1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine

C9H17N3O — CID 82407086

IUPAC1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine
SMILESCCCC(N)c1cnn(C)c1OC
InChIInChI=1S/C9H17N3O/c1-4-5-8(10)7-6-11-12(2)9(7)13-3/h6,8H,4-5,10H2,1-3H3
InChIKeyKJLJXJVSXGTPRN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.23
Rot. Bonds4

About 1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine

1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine (PubChem CID 82407086) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine
PubChem CID82407086
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine
SMILESCCCC(N)c1cnn(C)c1OC
InChIInChI=1S/C9H17N3O/c1-4-5-8(10)7-6-11-12(2)9(7)13-3/h6,8H,4-5,10H2,1-3H3
InChIKeyKJLJXJVSXGTPRN-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine (CID 82407086) is 1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine is CCCC(N)c1cnn(C)c1OC.
What is the InChIKey of 1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine?
The InChIKey is KJLJXJVSXGTPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-5-8(10)7-6-11-12(2)9(7)13-3/h6,8H,4-5,10H2,1-3H3.
What are the key properties of 1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine?
1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 82407086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).