2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine

C13H23N3O — CID 114557849

IUPAC2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine
SMILESCCCNC1CCOC(c2ccnn2CC)C1
InChIInChI=1S/C13H23N3O/c1-3-7-14-11-6-9-17-13(10-11)12-5-8-15-16(12)4-2/h5,8,11,13-14H,3-4,6-7,9-10H2,1-2H3
InChIKeyAKSJEQCPMFWOQY-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.12
Rot. Bonds5

About 2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine

2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine (PubChem CID 114557849) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine
PubChem CID114557849
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine
SMILESCCCNC1CCOC(c2ccnn2CC)C1
InChIInChI=1S/C13H23N3O/c1-3-7-14-11-6-9-17-13(10-11)12-5-8-15-16(12)4-2/h5,8,11,13-14H,3-4,6-7,9-10H2,1-2H3
InChIKeyAKSJEQCPMFWOQY-UHFFFAOYSA-N
XLogP2.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine
CID 66132492
2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine
CID 114075963
(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
CID 128976560
N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine
CID 115529255
5-(3-bromocyclopentyl)-1-ethylpyrazole
CID 64507142
N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide
CID 128976188
(3R)-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]thian-3-amine
CID 129343353
2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide
CID 126815754
2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride
CID 165453460
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 104694550
N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 81025718
3-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylcyclopentan-1-amine
CID 103015900

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine (CID 114557849) is 2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine is CCCNC1CCOC(c2ccnn2CC)C1.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine?
The InChIKey is AKSJEQCPMFWOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-7-14-11-6-9-17-13(10-11)12-5-8-15-16(12)4-2/h5,8,11,13-14H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine?
2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine is sourced from PubChem (CID 114557849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).