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

C9H15N3O — CID 69281508

IUPAC3-methyl-1-(oxan-4-yl)pyrazol-4-amine
SMILESCc1nn(C2CCOCC2)cc1N
InChIInChI=1S/C9H15N3O/c1-7-9(10)6-12(11-7)8-2-4-13-5-3-8/h6,8H,2-5,10H2,1H3
InChIKeyVPIPHCYJMTYWDB-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.13
Rot. Bonds1

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

3-methyl-1-(oxan-4-yl)pyrazol-4-amine (PubChem CID 69281508) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)pyrazol-4-amine
PubChem CID69281508
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-methyl-1-(oxan-4-yl)pyrazol-4-amine
SMILESCc1nn(C2CCOCC2)cc1N
InChIInChI=1S/C9H15N3O/c1-7-9(10)6-12(11-7)8-2-4-13-5-3-8/h6,8H,2-5,10H2,1H3
InChIKeyVPIPHCYJMTYWDB-UHFFFAOYSA-N
XLogP1.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-yl)pyrazol-4-amine?
The IUPAC name of 3-methyl-1-(oxan-4-yl)pyrazol-4-amine (CID 69281508) is 3-methyl-1-(oxan-4-yl)pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)pyrazol-4-amine is Cc1nn(C2CCOCC2)cc1N.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)pyrazol-4-amine?
The InChIKey is VPIPHCYJMTYWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-9(10)6-12(11-7)8-2-4-13-5-3-8/h6,8H,2-5,10H2,1H3.
What are the key properties of 3-methyl-1-(oxan-4-yl)pyrazol-4-amine?
3-methyl-1-(oxan-4-yl)pyrazol-4-amine has a molecular weight of 181.24 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-yl)pyrazol-4-amine is sourced from PubChem (CID 69281508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).