1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone

C18H23N3O2 — CID 166637826

IUPAC1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3ccc(CCO)cc3)cn2)CC1
InChIInChI=1S/C18H23N3O2/c1-14(23)20-9-6-18(7-10-20)21-13-17(12-19-21)16-4-2-15(3-5-16)8-11-22/h2-5,12-13,18,22H,6-11H2,1H3
InChIKeyXZVUUBAXXBALPR-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.27
Rot. Bonds4

About 1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 166637826) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID166637826
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3ccc(CCO)cc3)cn2)CC1
InChIInChI=1S/C18H23N3O2/c1-14(23)20-9-6-18(7-10-20)21-13-17(12-19-21)16-4-2-15(3-5-16)8-11-22/h2-5,12-13,18,22H,6-11H2,1H3
InChIKeyXZVUUBAXXBALPR-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 166637826) is 1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3ccc(CCO)cc3)cn2)CC1.
What is the InChIKey of 1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is XZVUUBAXXBALPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(23)20-9-6-18(7-10-20)21-13-17(12-19-21)16-4-2-15(3-5-16)8-11-22/h2-5,12-13,18,22H,6-11H2,1H3.
What are the key properties of 1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 313.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166637826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).