1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one

C24H20N2O2 — CID 545080

IUPAC1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one
SMILESCc1c(C2c3ccccc3Oc3ccccc32)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H20N2O2/c1-16-22(24(27)26(25(16)2)17-10-4-3-5-11-17)23-18-12-6-8-14-20(18)28-21-15-9-7-13-19(21)23/h3-15,23H,1-2H3
InChIKeyLEOXQGXJNASPOX-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.77
Rot. Bonds2

About 1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one

1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one (PubChem CID 545080) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one
PubChem CID545080
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one
SMILESCc1c(C2c3ccccc3Oc3ccccc32)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H20N2O2/c1-16-22(24(27)26(25(16)2)17-10-4-3-5-11-17)23-18-12-6-8-14-20(18)28-21-15-9-7-13-19(21)23/h3-15,23H,1-2H3
InChIKeyLEOXQGXJNASPOX-UHFFFAOYSA-N
XLogP4.77
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-diphenyl-4H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23735542
4-[[2-(4-ethoxyphenyl)-4-phenyl-4H-chromen-3-yl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23852582
1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrazol-3-one
CID 3366535
(3aR,4R,7S,7aR)-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 6548715
CID 175754430
CID 175754430
4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 785550
1,5-dimethyl-2-phenyl-4-(2,2,2-trifluoroacetyl)pyrazol-3-one
CID 174506740
(4R)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820642
4-[3-chloro-2-(2,6-dichlorophenyl)-4-oxoazetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 4277177
4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 13330527
benzene;9-(1,3-dimethyl-5-oxo-2-phenylpyrazol-4-yl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 90484932
4-[[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 50963780

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one?
The IUPAC name of 1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one (CID 545080) is 1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one is Cc1c(C2c3ccccc3Oc3ccccc32)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one?
The InChIKey is LEOXQGXJNASPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-16-22(24(27)26(25(16)2)17-10-4-3-5-11-17)23-18-12-6-8-14-20(18)28-21-15-9-7-13-19(21)23/h3-15,23H,1-2H3.
What are the key properties of 1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one?
1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one has a molecular weight of 368.44 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-phenyl-4-(9H-xanthen-9-yl)pyrazol-3-one is sourced from PubChem (CID 545080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).