[3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone

C20H17N3O3 — CID 135541366

IUPAC[3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
SMILESCc1cc(C2=NN(C(=O)c3ccncc3)C(c3ccco3)C2)ccc1O
InChIInChI=1S/C20H17N3O3/c1-13-11-15(4-5-18(13)24)16-12-17(19-3-2-10-26-19)23(22-16)20(25)14-6-8-21-9-7-14/h2-11,17,24H,12H2,1H3
InChIKeyPLLXGIICUJSWCR-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.68
Rot. Bonds3

About [3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone

[3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone (PubChem CID 135541366) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is [3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
PubChem CID135541366
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name[3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
SMILESCc1cc(C2=NN(C(=O)c3ccncc3)C(c3ccco3)C2)ccc1O
InChIInChI=1S/C20H17N3O3/c1-13-11-15(4-5-18(13)24)16-12-17(19-3-2-10-26-19)23(22-16)20(25)14-6-8-21-9-7-14/h2-11,17,24H,12H2,1H3
InChIKeyPLLXGIICUJSWCR-UHFFFAOYSA-N
XLogP3.68
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

Analyze [3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone
CID 40971632
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
CID 7164021
(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 7179869
[(3S)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 1039127
[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 851183
1-[(3S)-3-(furan-2-yl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 135816859
N-[2-[(3R)-5-(3,4-dimethylphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylacetamide
CID 93132837
(2-fluorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 948371
N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 16590143
N-[4-[(3S)-2-benzoyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 1244835
(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 41209428
N-[4-[(3S)-2-(3-fluorobenzoyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 51467165

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone (CID 135541366) is [3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone is Cc1cc(C2=NN(C(=O)c3ccncc3)C(c3ccco3)C2)ccc1O.
What is the InChIKey of [3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The InChIKey is PLLXGIICUJSWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13-11-15(4-5-18(13)24)16-12-17(19-3-2-10-26-19)23(22-16)20(25)14-6-8-21-9-7-14/h2-11,17,24H,12H2,1H3.
What are the key properties of [3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
[3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone has a molecular weight of 347.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 135541366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).