N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine

C13H23N3O — CID 107138704

IUPACN-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)nn1C)C1CCCOC1
InChIInChI=1S/C13H23N3O/c1-4-14-13(11-6-5-7-17-9-11)12-8-10(2)15-16(12)3/h8,11,13-14H,4-7,9H2,1-3H3
InChIKeyOCLKMNYLCFFYGP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.81
Rot. Bonds4

About N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine

N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 107138704) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine
PubChem CID107138704
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)nn1C)C1CCCOC1
InChIInChI=1S/C13H23N3O/c1-4-14-13(11-6-5-7-17-9-11)12-8-10(2)15-16(12)3/h8,11,13-14H,4-7,9H2,1-3H3
InChIKeyOCLKMNYLCFFYGP-UHFFFAOYSA-N
XLogP1.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170134
N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 114688035
N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 105155834
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139280
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 105147665
N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 105156073
N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139268
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034
N-[(2,5-dimethylpyrazol-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170671
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421
N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139181
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 105147499

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine (CID 107138704) is N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine is CCNC(c1cc(C)nn1C)C1CCCOC1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is OCLKMNYLCFFYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-14-13(11-6-5-7-17-9-11)12-8-10(2)15-16(12)3/h8,11,13-14H,4-7,9H2,1-3H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine?
N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 107138704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).