N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine

C13H23N3O — CID 65195339

IUPACN-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1cnn(C)c1
InChIInChI=1S/C13H23N3O/c1-3-14-13(12-9-15-16(2)10-12)8-11-4-6-17-7-5-11/h9-11,13-14H,3-8H2,1-2H3
InChIKeyVAIASXGLDHUVPE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.89
Rot. Bonds5

About N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine

N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 65195339) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine
PubChem CID65195339
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1cnn(C)c1
InChIInChI=1S/C13H23N3O/c1-3-14-13(12-9-15-16(2)10-12)8-11-4-6-17-7-5-11/h9-11,13-14H,3-8H2,1-2H3
InChIKeyVAIASXGLDHUVPE-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine
CID 103986903
N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923393
2-cyclopentyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807398
N-ethyl-1-(3-methylimidazol-4-yl)-2-(oxan-4-yl)ethanamine
CID 82903049
2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485883
1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 114330620
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421
2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 103546459
N-ethyl-2-(oxan-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126820
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine
CID 113362176
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 65195392

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine (CID 65195339) is N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)c1cnn(C)c1.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is VAIASXGLDHUVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-14-13(12-9-15-16(2)10-12)8-11-4-6-17-7-5-11/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine?
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 65195339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).