(2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone

C19H25N3O2 — CID 70720134

IUPAC(2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCCC1CCc1ccc(O)cc1
InChIInChI=1S/C19H25N3O2/c1-2-22-18(12-13-20-22)19(24)21-14-4-3-5-16(21)9-6-15-7-10-17(23)11-8-15/h7-8,10-13,16,23H,2-6,9,14H2,1H3
InChIKeyLNLQBLKVHBPISJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.24
Rot. Bonds5

About (2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 70720134) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID70720134
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCCC1CCc1ccc(O)cc1
InChIInChI=1S/C19H25N3O2/c1-2-22-18(12-13-20-22)19(24)21-14-4-3-5-16(21)9-6-15-7-10-17(23)11-8-15/h7-8,10-13,16,23H,2-6,9,14H2,1H3
InChIKeyLNLQBLKVHBPISJ-UHFFFAOYSA-N
XLogP3.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone (CID 70720134) is (2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone is CCn1nccc1C(=O)N1CCCCC1CCc1ccc(O)cc1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is LNLQBLKVHBPISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-22-18(12-13-20-22)19(24)21-14-4-3-5-16(21)9-6-15-7-10-17(23)11-8-15/h7-8,10-13,16,23H,2-6,9,14H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70720134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).