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

C9H15N3O — CID 63558947

IUPAC3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine
SMILESCc1nn(C2CCOC2)c(C)c1N
InChIInChI=1S/C9H15N3O/c1-6-9(10)7(2)12(11-6)8-3-4-13-5-8/h8H,3-5,10H2,1-2H3
InChIKeyMMSZQOAQOPQTOF-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.04
Rot. Bonds1

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

3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine (PubChem CID 63558947) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine
PubChem CID63558947
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine
SMILESCc1nn(C2CCOC2)c(C)c1N
InChIInChI=1S/C9H15N3O/c1-6-9(10)7(2)12(11-6)8-3-4-13-5-8/h8H,3-5,10H2,1-2H3
InChIKeyMMSZQOAQOPQTOF-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
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-(oxolan-3-yl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine (CID 63558947) is 3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine is Cc1nn(C2CCOC2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine?
The InChIKey is MMSZQOAQOPQTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-9(10)7(2)12(11-6)8-3-4-13-5-8/h8H,3-5,10H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine?
3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine has a molecular weight of 181.24 g/mol, XLogP of 1.04, 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-(oxolan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 63558947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).