1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine

C17H31N3O — CID 62731742

IUPAC1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1c(C)nn(CC2CCOCC2)c1C
InChIInChI=1S/C17H31N3O/c1-5-9-18-16(6-2)17-13(3)19-20(14(17)4)12-15-7-10-21-11-8-15/h15-16,18H,5-12H2,1-4H3
InChIKeyBMYINLFQRNWYJD-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.38
Rot. Bonds7

About 1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine

1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine (PubChem CID 62731742) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
PubChem CID62731742
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1c(C)nn(CC2CCOCC2)c1C
InChIInChI=1S/C17H31N3O/c1-5-9-18-16(6-2)17-13(3)19-20(14(17)4)12-15-7-10-21-11-8-15/h15-16,18H,5-12H2,1-4H3
InChIKeyBMYINLFQRNWYJD-UHFFFAOYSA-N
XLogP3.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine (CID 62731742) is 1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine is CCCNC(CC)c1c(C)nn(CC2CCOCC2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is BMYINLFQRNWYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-9-18-16(6-2)17-13(3)19-20(14(17)4)12-15-7-10-21-11-8-15/h15-16,18H,5-12H2,1-4H3.
What are the key properties of 1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62731742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).