1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine

C11H19N3O — CID 122240744

IUPAC1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine
SMILESCC(N)c1cnn(CC2CCCOC2)c1
InChIInChI=1S/C11H19N3O/c1-9(12)11-5-13-14(7-11)6-10-3-2-4-15-8-10/h5,7,9-10H,2-4,6,8,12H2,1H3
InChIKeyOTOLBYMCQWRTJK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.33
Rot. Bonds3

About 1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine

1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine (PubChem CID 122240744) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine
PubChem CID122240744
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine
SMILESCC(N)c1cnn(CC2CCCOC2)c1
InChIInChI=1S/C11H19N3O/c1-9(12)11-5-13-14(7-11)6-10-3-2-4-15-8-10/h5,7,9-10H,2-4,6,8,12H2,1H3
InChIKeyOTOLBYMCQWRTJK-UHFFFAOYSA-N
XLogP1.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 130791829
1-[1-[[(3S)-oxan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129498995
[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol
CID 121207451
(1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine
CID 104942562
1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine
CID 62731505
4-ethynyl-1-(oxan-3-ylmethyl)pyrazole
CID 122240733
1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanol
CID 62729638
(1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine
CID 65332290
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol
CID 62730914
1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129368054
(E)-3-[1-(oxan-3-ylmethyl)pyrazol-4-yl]prop-2-enoic acid
CID 122240734
4-(1-chloropropyl)-1-(oxan-4-ylmethyl)pyrazole
CID 62729493

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine (CID 122240744) is 1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine is CC(N)c1cnn(CC2CCCOC2)c1.
What is the InChIKey of 1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine?
The InChIKey is OTOLBYMCQWRTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(12)11-5-13-14(7-11)6-10-3-2-4-15-8-10/h5,7,9-10H,2-4,6,8,12H2,1H3.
What are the key properties of 1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine?
1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 122240744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).