1-methyl-N-(oxan-4-yl)pyrazol-3-amine

C9H15N3O — CID 60810299

IUPAC1-methyl-N-(oxan-4-yl)pyrazol-3-amine
SMILESCn1ccc(NC2CCOCC2)n1
InChIInChI=1S/C9H15N3O/c1-12-5-2-9(11-12)10-8-3-6-13-7-4-8/h2,5,8H,3-4,6-7H2,1H3,(H,10,11)
InChIKeyVYRHKUMPGILEEC-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.01
Rot. Bonds2

About 1-methyl-N-(oxan-4-yl)pyrazol-3-amine

1-methyl-N-(oxan-4-yl)pyrazol-3-amine (PubChem CID 60810299) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-methyl-N-(oxan-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(oxan-4-yl)pyrazol-3-amine
PubChem CID60810299
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-methyl-N-(oxan-4-yl)pyrazol-3-amine
SMILESCn1ccc(NC2CCOCC2)n1
InChIInChI=1S/C9H15N3O/c1-12-5-2-9(11-12)10-8-3-6-13-7-4-8/h2,5,8H,3-4,6-7H2,1H3,(H,10,11)
InChIKeyVYRHKUMPGILEEC-UHFFFAOYSA-N
XLogP1.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxan-4-yl)pyrazol-3-amine?
The IUPAC name of 1-methyl-N-(oxan-4-yl)pyrazol-3-amine (CID 60810299) is 1-methyl-N-(oxan-4-yl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(oxan-4-yl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(oxan-4-yl)pyrazol-3-amine is Cn1ccc(NC2CCOCC2)n1.
What is the InChIKey of 1-methyl-N-(oxan-4-yl)pyrazol-3-amine?
The InChIKey is VYRHKUMPGILEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-5-2-9(11-12)10-8-3-6-13-7-4-8/h2,5,8H,3-4,6-7H2,1H3,(H,10,11).
What are the key properties of 1-methyl-N-(oxan-4-yl)pyrazol-3-amine?
1-methyl-N-(oxan-4-yl)pyrazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxan-4-yl)pyrazol-3-amine is sourced from PubChem (CID 60810299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).