3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine

C12H19N3O — CID 115702974

IUPAC3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine
SMILESCn1nc(C2CCC2)cc1NC1CCOC1
InChIInChI=1S/C12H19N3O/c1-15-12(13-10-5-6-16-8-10)7-11(14-15)9-3-2-4-9/h7,9-10,13H,2-6,8H2,1H3
InChIKeyVDKYVSURMPSYIV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.89
Rot. Bonds3

About 3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine

3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine (PubChem CID 115702974) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine
PubChem CID115702974
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine
SMILESCn1nc(C2CCC2)cc1NC1CCOC1
InChIInChI=1S/C12H19N3O/c1-15-12(13-10-5-6-16-8-10)7-11(14-15)9-3-2-4-9/h7,9-10,13H,2-6,8H2,1H3
InChIKeyVDKYVSURMPSYIV-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine?
The IUPAC name of 3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine (CID 115702974) is 3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine.
What is the SMILES notation for 3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine?
The canonical SMILES for 3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine is Cn1nc(C2CCC2)cc1NC1CCOC1.
What is the InChIKey of 3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine?
The InChIKey is VDKYVSURMPSYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-12(13-10-5-6-16-8-10)7-11(14-15)9-3-2-4-9/h7,9-10,13H,2-6,8H2,1H3.
What are the key properties of 3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine?
3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine has a molecular weight of 221.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-methyl-N-(oxolan-3-yl)pyrazol-5-amine is sourced from PubChem (CID 115702974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).