1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine

C13H23N3O — CID 107139176

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCCc1nn(C)cc1C(NC)C1CCCOC1
InChIInChI=1S/C13H23N3O/c1-4-12-11(8-16(3)15-12)13(14-2)10-6-5-7-17-9-10/h8,10,13-14H,4-7,9H2,1-3H3
InChIKeyPEDOYFGZDQCAAR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.67
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 107139176) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID107139176
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCCc1nn(C)cc1C(NC)C1CCCOC1
InChIInChI=1S/C13H23N3O/c1-4-12-11(8-16(3)15-12)13(14-2)10-6-5-7-17-9-10/h8,10,13-14H,4-7,9H2,1-3H3
InChIKeyPEDOYFGZDQCAAR-UHFFFAOYSA-N
XLogP1.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 102811927
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139182
N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 102811928
2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812422
1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139167
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421
N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 65332085
[(3-ethyl-1-methylpyrazol-4-yl)-(4-methylcyclohexyl)methyl]hydrazine
CID 102813120
[(4-ethylcyclohexyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine
CID 102813126
(3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 102812619
N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107978055
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113347464

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine (CID 107139176) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine is CCc1nn(C)cc1C(NC)C1CCCOC1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is PEDOYFGZDQCAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-12-11(8-16(3)15-12)13(14-2)10-6-5-7-17-9-10/h8,10,13-14H,4-7,9H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 107139176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).