1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine

C16H29N3O — CID 82697043

IUPAC1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCc1nn(CC2CCCO2)c(CC)c1C(CC)NC
InChIInChI=1S/C16H29N3O/c1-5-13(17-4)16-14(6-2)18-19(15(16)7-3)11-12-9-8-10-20-12/h12-13,17H,5-11H2,1-4H3
InChIKeyIICULJMBSFFMEE-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.86
Rot. Bonds7

About 1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine

1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 82697043) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID82697043
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCc1nn(CC2CCCO2)c(CC)c1C(CC)NC
InChIInChI=1S/C16H29N3O/c1-5-13(17-4)16-14(6-2)18-19(15(16)7-3)11-12-9-8-10-20-12/h12-13,17H,5-11H2,1-4H3
InChIKeyIICULJMBSFFMEE-UHFFFAOYSA-N
XLogP2.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine
CID 82697632
1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103139446
3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82702523
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine
CID 82698034
1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82697642
3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
CID 82700004
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700738
1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697791
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198758
1-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731385
2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine
CID 82699798
1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 103139484

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine (CID 82697043) is 1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine is CCc1nn(CC2CCCO2)c(CC)c1C(CC)NC.
What is the InChIKey of 1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is IICULJMBSFFMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-13(17-4)16-14(6-2)18-19(15(16)7-3)11-12-9-8-10-20-12/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.86, 7 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-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 82697043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).