N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C15H27N3O — CID 105156786

IUPACN-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1c(C)nn(C)c1C
InChIInChI=1S/C15H27N3O/c1-5-16-14(9-8-13-7-6-10-19-13)15-11(2)17-18(4)12(15)3/h13-14,16H,5-10H2,1-4H3
InChIKeyNYVBPLXQJIMKGN-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.65
Rot. Bonds6

About N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 105156786) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID105156786
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1c(C)nn(C)c1C
InChIInChI=1S/C15H27N3O/c1-5-16-14(9-8-13-7-6-10-19-13)15-11(2)17-18(4)12(15)3/h13-14,16H,5-10H2,1-4H3
InChIKeyNYVBPLXQJIMKGN-UHFFFAOYSA-N
XLogP2.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105314270
N-ethyl-3-(oxolan-2-yl)-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 65156525
1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 102803914
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 104996517
1-(3-bromo-5-methylthiophen-2-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65278411
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
N-ethyl-1-(5-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164298
1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 107985085
[1-(3-ethyl-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314237
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82834331
N-ethyl-3-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 65164240
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 105156786) is N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is CCNC(CCC1CCCO1)c1c(C)nn(C)c1C.
What is the InChIKey of N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is NYVBPLXQJIMKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-16-14(9-8-13-7-6-10-19-13)15-11(2)17-18(4)12(15)3/h13-14,16H,5-10H2,1-4H3.
What are the key properties of N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105156786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).