[3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol

C13H23N3O — CID 115092755

IUPAC[3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol
SMILESCCN1CCCCC1Cc1cc(CO)n(C)n1
InChIInChI=1S/C13H23N3O/c1-3-16-7-5-4-6-12(16)8-11-9-13(10-17)15(2)14-11/h9,12,17H,3-8,10H2,1-2H3
InChIKeyRIYIQBRRXQOEGD-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.33
Rot. Bonds4

About [3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol

[3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol (PubChem CID 115092755) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol
PubChem CID115092755
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol
SMILESCCN1CCCCC1Cc1cc(CO)n(C)n1
InChIInChI=1S/C13H23N3O/c1-3-16-7-5-4-6-12(16)8-11-9-13(10-17)15(2)14-11/h9,12,17H,3-8,10H2,1-2H3
InChIKeyRIYIQBRRXQOEGD-UHFFFAOYSA-N
XLogP1.33
TPSA41.29 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine
CID 115092671
[3-(1-ethylpyrrolidin-2-yl)-1-methylpyrazol-5-yl]methanol
CID 115092540
4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine
CID 117106182
1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid
CID 115092798
(1-ethylazepan-2-yl)methanol
CID 2849413
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339641
1,2-diethylpiperidine
CID 19604037
[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]methanol
CID 115085964
4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 117106043
(5-ethyl-1-methylpyrazol-3-yl)methanol
CID 23005581
3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol
CID 115092133

Frequently Asked Questions

What is the IUPAC name of [3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol?
The IUPAC name of [3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol (CID 115092755) is [3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol.
What is the SMILES notation for [3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol?
The canonical SMILES for [3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol is CCN1CCCCC1Cc1cc(CO)n(C)n1.
What is the InChIKey of [3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol?
The InChIKey is RIYIQBRRXQOEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16-7-5-4-6-12(16)8-11-9-13(10-17)15(2)14-11/h9,12,17H,3-8,10H2,1-2H3.
What are the key properties of [3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol?
[3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol is sourced from PubChem (CID 115092755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).