3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine

C10H17N3O — CID 107134649

IUPAC3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine
SMILESCc1nn(C2CCCOC2)c(C)c1N
InChIInChI=1S/C10H17N3O/c1-7-10(11)8(2)13(12-7)9-4-3-5-14-6-9/h9H,3-6,11H2,1-2H3
InChIKeyQZMUSGQKZVIORB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.43
Rot. Bonds1

About 3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine

3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine (PubChem CID 107134649) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine
PubChem CID107134649
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine
SMILESCc1nn(C2CCCOC2)c(C)c1N
InChIInChI=1S/C10H17N3O/c1-7-10(11)8(2)13(12-7)9-4-3-5-14-6-9/h9H,3-6,11H2,1-2H3
InChIKeyQZMUSGQKZVIORB-UHFFFAOYSA-N
XLogP1.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine (CID 107134649) is 3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine is Cc1nn(C2CCCOC2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine?
The InChIKey is QZMUSGQKZVIORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-10(11)8(2)13(12-7)9-4-3-5-14-6-9/h9H,3-6,11H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine?
3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine has a molecular weight of 195.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 107134649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).