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

C17H31N3O — CID 103139446

IUPAC1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCc1nn(CC2CCC(C)O2)c(CC)c1C(CC)NC
InChIInChI=1S/C17H31N3O/c1-6-14(18-5)17-15(7-2)19-20(16(17)8-3)11-13-10-9-12(4)21-13/h12-14,18H,6-11H2,1-5H3
InChIKeyXMWTVVFLHXMZET-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.25
Rot. Bonds7

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

1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 103139446) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID103139446
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCc1nn(CC2CCC(C)O2)c(CC)c1C(CC)NC
InChIInChI=1S/C17H31N3O/c1-6-14(18-5)17-15(7-2)19-20(16(17)8-3)11-13-10-9-12(4)21-13/h12-14,18H,6-11H2,1-5H3
InChIKeyXMWTVVFLHXMZET-UHFFFAOYSA-N
XLogP3.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine (CID 103139446) is 1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine is CCc1nn(CC2CCC(C)O2)c(CC)c1C(CC)NC.
What is the InChIKey of 1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is XMWTVVFLHXMZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-14(18-5)17-15(7-2)19-20(16(17)8-3)11-13-10-9-12(4)21-13/h12-14,18H,6-11H2,1-5H3.
What are the key properties of 1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine?
1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.25, 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-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 103139446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).