1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine

C16H29N3O — CID 82697632

IUPAC1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(CC2CCCCO2)c(CC)c1C(C)NC
InChIInChI=1S/C16H29N3O/c1-5-14-16(12(3)17-4)15(6-2)19(18-14)11-13-9-7-8-10-20-13/h12-13,17H,5-11H2,1-4H3
InChIKeyRJOGUQRHIMYWGV-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.86
Rot. Bonds6

About 1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine

1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine (PubChem CID 82697632) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine
PubChem CID82697632
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(CC2CCCCO2)c(CC)c1C(C)NC
InChIInChI=1S/C16H29N3O/c1-5-14-16(12(3)17-4)15(6-2)19(18-14)11-13-9-7-8-10-20-13/h12-13,17H,5-11H2,1-4H3
InChIKeyRJOGUQRHIMYWGV-UHFFFAOYSA-N
XLogP2.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82697043
3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82702523
3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
CID 82700004
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82700205
1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine
CID 82697714
1-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine
CID 55139422
1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103139446
1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697791
1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 82698134
1-[1-(2-butoxyethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82698129
1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol
CID 82697298
1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine
CID 103085687

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine (CID 82697632) is 1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine is CCc1nn(CC2CCCCO2)c(CC)c1C(C)NC.
What is the InChIKey of 1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine?
The InChIKey is RJOGUQRHIMYWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-14-16(12(3)17-4)15(6-2)19(18-14)11-13-9-7-8-10-20-13/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine?
1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine has a molecular weight of 279.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 82697632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).