1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C17H31N3O — CID 105147287

IUPAC1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCCCNC(CCc1c(C)nn(C)c1C)C1CCOCC1
InChIInChI=1S/C17H31N3O/c1-5-10-18-17(15-8-11-21-12-9-15)7-6-16-13(2)19-20(4)14(16)3/h15,17-18H,5-12H2,1-4H3
InChIKeyBYPDLZQDAJEVFD-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.76
Rot. Bonds7

About 1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 105147287) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID105147287
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCCCNC(CCc1c(C)nn(C)c1C)C1CCOCC1
InChIInChI=1S/C17H31N3O/c1-5-10-18-17(15-8-11-21-12-9-15)7-6-16-13(2)19-20(4)14(16)3/h15,17-18H,5-12H2,1-4H3
InChIKeyBYPDLZQDAJEVFD-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105187556
3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 114530301
6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine
CID 105127219
N-ethyl-1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105155988
[1-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105282113
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-3-amine
CID 105126410
N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105147577
N-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105138658
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine
CID 105181594
N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105138618
[1-(oxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105306650
1-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 79225182

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 105147287) is 1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is CCCNC(CCc1c(C)nn(C)c1C)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is BYPDLZQDAJEVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-10-18-17(15-8-11-21-12-9-15)7-6-16-13(2)19-20(4)14(16)3/h15,17-18H,5-12H2,1-4H3.
What are the key properties of 1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105147287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).