5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one

C21H18N2O2 — CID 118375962

IUPAC5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C21H18N2O2/c1-15-19(21(24)23(22-15)17-10-6-3-7-11-17)14-18-12-13-20(25-18)16-8-4-2-5-9-16/h2-13,19H,14H2,1H3
InChIKeyQKLVDKZREZGVIY-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.53
Rot. Bonds4

About 5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one

5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one (PubChem CID 118375962) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one
PubChem CID118375962
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C21H18N2O2/c1-15-19(21(24)23(22-15)17-10-6-3-7-11-17)14-18-12-13-20(25-18)16-8-4-2-5-9-16/h2-13,19H,14H2,1H3
InChIKeyQKLVDKZREZGVIY-UHFFFAOYSA-N
XLogP4.53
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-[3-(1-hydroxyethenyl)-4-methylphenyl]furan-2-yl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 58479318
5-methyl-4-[(2-methylphenyl)methyl]-2-phenyl-4H-pyrazol-3-one
CID 164616424
(4S)-4-[(2-hydroxyphenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 7053680
5-methyl-4-[(4-oxochromen-3-yl)methyl]-2-phenyl-4H-pyrazol-3-one
CID 154722120
3-[4-[[5-[4-chloro-3-[(3-methylphenyl)carbamoyl]phenyl]furan-2-yl]methyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzoic acid
CID 158620314
(4S)-4-[[4-(dimethylamino)phenyl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 27234978
5-methyl-2-phenyl-4-prop-2-ynyl-4H-pyrazol-3-one
CID 164681322
4-benzyl-5-(4-methylphenyl)-2-phenyl-4H-pyrazol-3-one
CID 164623482
3-[3-methyl-4-[[5-[(3-methylphenyl)carbamoyl]furan-2-yl]methyl]-5-oxo-4H-pyrazol-1-yl]benzoic acid
CID 164991415
4-iodo-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 43835372
10-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)decyl-triphenylphosphanium bromide
CID 172781383
methane;3-[4-[[5-[(3-methoxyphenyl)carbamoyl]furan-2-yl]methyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzoic acid
CID 165069012

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one (CID 118375962) is 5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one is CC1=NN(c2ccccc2)C(=O)C1Cc1ccc(-c2ccccc2)o1.
What is the InChIKey of 5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one?
The InChIKey is QKLVDKZREZGVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-15-19(21(24)23(22-15)17-10-6-3-7-11-17)14-18-12-13-20(25-18)16-8-4-2-5-9-16/h2-13,19H,14H2,1H3.
What are the key properties of 5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one?
5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one has a molecular weight of 330.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-[(5-phenylfuran-2-yl)methyl]-4H-pyrazol-3-one is sourced from PubChem (CID 118375962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).