(1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine

C11H19N3O — CID 65332290

IUPAC(1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine
SMILESCCn1cc(C(N)C2CCCOC2)cn1
InChIInChI=1S/C11H19N3O/c1-2-14-7-10(6-13-14)11(12)9-4-3-5-15-8-9/h6-7,9,11H,2-5,8,12H2,1H3
InChIKeyFEDZKEBMCNBRBM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.33
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine

(1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine (PubChem CID 65332290) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine
PubChem CID65332290
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine
SMILESCCn1cc(C(N)C2CCCOC2)cn1
InChIInChI=1S/C11H19N3O/c1-2-14-7-10(6-13-14)11(12)9-4-3-5-15-8-9/h6-7,9,11H,2-5,8,12H2,1H3
InChIKeyFEDZKEBMCNBRBM-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

cyclooctyl-(1-ethylpyrazol-4-yl)methanamine
CID 80603190
1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 122240744
N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330533
2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 115816159
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421
oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
oxolan-2-yl-(1-propylpyrazol-4-yl)methanamine
CID 65331147
oxan-3-yl-(1-propylimidazol-2-yl)methanamine
CID 65332241
(3,5-dibromophenyl)-(oxan-3-yl)methanamine
CID 107978057
(1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine
CID 164650799
2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103168314
(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
CID 79703753

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine?
The IUPAC name of (1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine (CID 65332290) is (1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine is CCn1cc(C(N)C2CCCOC2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine?
The InChIKey is FEDZKEBMCNBRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-14-7-10(6-13-14)11(12)9-4-3-5-15-8-9/h6-7,9,11H,2-5,8,12H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine?
(1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine 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-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine is sourced from PubChem (CID 65332290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).