1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone

C16H15N3O2 — CID 3159801

IUPAC1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccncc2)CC1c1ccccc1O
InChIInChI=1S/C16H15N3O2/c1-11(20)19-15(13-4-2-3-5-16(13)21)10-14(18-19)12-6-8-17-9-7-12/h2-9,15,21H,10H2,1H3
InChIKeyZVMKQMLHAWOEAX-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.48
Rot. Bonds2

About 1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone

1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 3159801) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID3159801
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccncc2)CC1c1ccccc1O
InChIInChI=1S/C16H15N3O2/c1-11(20)19-15(13-4-2-3-5-16(13)21)10-14(18-19)12-6-8-17-9-7-12/h2-9,15,21H,10H2,1H3
InChIKeyZVMKQMLHAWOEAX-UHFFFAOYSA-N
XLogP2.48
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone (CID 3159801) is 1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccncc2)CC1c1ccccc1O.
What is the InChIKey of 1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is ZVMKQMLHAWOEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11(20)19-15(13-4-2-3-5-16(13)21)10-14(18-19)12-6-8-17-9-7-12/h2-9,15,21H,10H2,1H3.
What are the key properties of 1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone?
1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 281.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 3159801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).