(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone

C16H16N2O3 — CID 2884786

IUPAC(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone
SMILESCC1=NN(C(=O)c2ccc(C)o2)C(O)(c2ccccc2)C1
InChIInChI=1S/C16H16N2O3/c1-11-10-16(20,13-6-4-3-5-7-13)18(17-11)15(19)14-9-8-12(2)21-14/h3-9,20H,10H2,1-2H3
InChIKeyHVXIPEDKSTXNRN-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.66
Rot. Bonds2

About (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone

(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone (PubChem CID 2884786) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone
PubChem CID2884786
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone
SMILESCC1=NN(C(=O)c2ccc(C)o2)C(O)(c2ccccc2)C1
InChIInChI=1S/C16H16N2O3/c1-11-10-16(20,13-6-4-3-5-7-13)18(17-11)15(19)14-9-8-12(2)21-14/h3-9,20H,10H2,1-2H3
InChIKeyHVXIPEDKSTXNRN-UHFFFAOYSA-N
XLogP2.66
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone 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

furan-2-yl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 3326515
furan-2-yl-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3147093
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 4151262
3-(3-methoxyphenyl)-1-(5-methyl-2-furoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2916647
[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(furan-2-yl)methanone
CID 3147040
1-(2-furoyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3147107
furan-2-yl-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3148327
furan-2-yl-[3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]methanone
CID 3152056
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 3392444
(Furan-2-yl)(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3078481
Rhodblock 1a
CID 2952118
[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(furan-2-yl)methanone
CID 3147059

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone (CID 2884786) is (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone is CC1=NN(C(=O)c2ccc(C)o2)C(O)(c2ccccc2)C1.
What is the InChIKey of (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone?
The InChIKey is HVXIPEDKSTXNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-10-16(20,13-6-4-3-5-7-13)18(17-11)15(19)14-9-8-12(2)21-14/h3-9,20H,10H2,1-2H3.
What are the key properties of (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone?
(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone has a molecular weight of 284.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 2884786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).