[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone

C18H23N3O2 — CID 56748285

IUPAC[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCCc1cn[nH]c1C1CCN(C(=O)c2cccc(O)c2C)CC1
InChIInChI=1S/C18H23N3O2/c1-3-13-11-19-20-17(13)14-7-9-21(10-8-14)18(23)15-5-4-6-16(22)12(15)2/h4-6,11,14,22H,3,7-10H2,1-2H3,(H,19,20)
InChIKeyYAQCWKLOLLMTMO-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.01
Rot. Bonds3

About [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone

[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone (PubChem CID 56748285) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
PubChem CID56748285
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCCc1cn[nH]c1C1CCN(C(=O)c2cccc(O)c2C)CC1
InChIInChI=1S/C18H23N3O2/c1-3-13-11-19-20-17(13)14-7-9-21(10-8-14)18(23)15-5-4-6-16(22)12(15)2/h4-6,11,14,22H,3,7-10H2,1-2H3,(H,19,20)
InChIKeyYAQCWKLOLLMTMO-UHFFFAOYSA-N
XLogP3.01
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone (CID 56748285) is [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone is CCc1cn[nH]c1C1CCN(C(=O)c2cccc(O)c2C)CC1.
What is the InChIKey of [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The InChIKey is YAQCWKLOLLMTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-13-11-19-20-17(13)14-7-9-21(10-8-14)18(23)15-5-4-6-16(22)12(15)2/h4-6,11,14,22H,3,7-10H2,1-2H3,(H,19,20).
What are the key properties of [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone has a molecular weight of 313.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 56748285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).