3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine

C12H21N3O — CID 115702781

IUPAC3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine
SMILESCCc1cc(NCC2CCOCC2)n(C)n1
InChIInChI=1S/C12H21N3O/c1-3-11-8-12(15(2)14-11)13-9-10-4-6-16-7-5-10/h8,10,13H,3-7,9H2,1-2H3
InChIKeyHMBKQDZQLSVHRM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.82
Rot. Bonds4

About 3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine

3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine (PubChem CID 115702781) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine
PubChem CID115702781
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine
SMILESCCc1cc(NCC2CCOCC2)n(C)n1
InChIInChI=1S/C12H21N3O/c1-3-11-8-12(15(2)14-11)13-9-10-4-6-16-7-5-10/h8,10,13H,3-7,9H2,1-2H3
InChIKeyHMBKQDZQLSVHRM-UHFFFAOYSA-N
XLogP1.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine (CID 115702781) is 3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine is CCc1cc(NCC2CCOCC2)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine?
The InChIKey is HMBKQDZQLSVHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-11-8-12(15(2)14-11)13-9-10-4-6-16-7-5-10/h8,10,13H,3-7,9H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine?
3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine has a molecular weight of 223.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(oxan-4-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 115702781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).