1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine

C12H21N3O — CID 116524233

IUPAC1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1ccnn1CC1CCC(C)(C)O1
InChIInChI=1S/C12H21N3O/c1-12(2)6-4-11(16-12)9-15-10(8-13-3)5-7-14-15/h5,7,11,13H,4,6,8-9H2,1-3H3
InChIKeyATYRTDYNURUJHO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds4

About 1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine

1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine (PubChem CID 116524233) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine
PubChem CID116524233
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1ccnn1CC1CCC(C)(C)O1
InChIInChI=1S/C12H21N3O/c1-12(2)6-4-11(16-12)9-15-10(8-13-3)5-7-14-15/h5,7,11,13H,4,6,8-9H2,1-3H3
InChIKeyATYRTDYNURUJHO-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine (CID 116524233) is 1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine is CNCc1ccnn1CC1CCC(C)(C)O1.
What is the InChIKey of 1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is ATYRTDYNURUJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2)6-4-11(16-12)9-15-10(8-13-3)5-7-14-15/h5,7,11,13H,4,6,8-9H2,1-3H3.
What are the key properties of 1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine?
1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 116524233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).