N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine

C15H27N3OS — CID 79963770

IUPACN-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)nn1CC)C1CSCCO1
InChIInChI=1S/C15H27N3OS/c1-4-6-16-14(15-11-20-8-7-19-15)10-13-9-12(3)17-18(13)5-2/h9,14-16H,4-8,10-11H2,1-3H3
InChIKeyURNZGTXXPYQAKS-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.25
Rot. Bonds7

About N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine

N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine (PubChem CID 79963770) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
PubChem CID79963770
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)nn1CC)C1CSCCO1
InChIInChI=1S/C15H27N3OS/c1-4-6-16-14(15-11-20-8-7-19-15)10-13-9-12(3)17-18(13)5-2/h9,14-16H,4-8,10-11H2,1-3H3
InChIKeyURNZGTXXPYQAKS-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 79963875
N-[2-(1-methylpyrazol-4-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 79962360
N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 83182561
1-(1,4-dithian-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 79965484
N-[1-(1,1-dioxothiolan-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 115337039
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 79965376
4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine
CID 79962761
1-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpropan-2-amine
CID 105002712
N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105001653
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-iodothiophen-3-yl)ethyl]propan-1-amine
CID 105002687
3-(1-methylpyrazol-4-yl)-1-(1,4-oxathian-2-yl)-N-propylpropan-1-amine
CID 103011425
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665193

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine (CID 79963770) is N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)nn1CC)C1CSCCO1.
What is the InChIKey of N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine?
The InChIKey is URNZGTXXPYQAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-4-6-16-14(15-11-20-8-7-19-15)10-13-9-12(3)17-18(13)5-2/h9,14-16H,4-8,10-11H2,1-3H3.
What are the key properties of N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine?
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79963770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).