4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one

C22H22N4O2 — CID 43834929

IUPAC4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1(C)C1(C)C(=O)N(c2ccccc2)N=C1C
InChIInChI=1S/C22H22N4O2/c1-15-21(3,19(27)25(23-15)17-11-7-5-8-12-17)22(4)16(2)24-26(20(22)28)18-13-9-6-10-14-18/h5-14H,1-4H3
InChIKeyRTKZPUFORVKLBP-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.84
Rot. Bonds3

About 4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one

4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 43834929) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID43834929
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1(C)C1(C)C(=O)N(c2ccccc2)N=C1C
InChIInChI=1S/C22H22N4O2/c1-15-21(3,19(27)25(23-15)17-11-7-5-8-12-17)22(4)16(2)24-26(20(22)28)18-13-9-6-10-14-18/h5-14H,1-4H3
InChIKeyRTKZPUFORVKLBP-UHFFFAOYSA-N
XLogP3.84
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dichloro-5-methyl-2-phenylpyrazol-3-one
CID 847413
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CID 27234921
(5S,6S)-1,10-dimethyl-3,8,11-triphenyl-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,9-diene-4,7-dione
CID 27234903
(5R,6R)-1,10-dimethyl-3,8,11-triphenyl-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,9-diene-4,7-dione
CID 27234906
(2S)-5'-methyl-2'-phenylspiro[1-benzothiophene-2,4'-pyrazole]-3,3'-dione
CID 7714795
4-bromo-4-methyl-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
CID 118538366
4-hydroxy-5-methyl-4-phenacyl-2-phenylpyrazol-3-one
CID 122224342
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CID 134090412
5-tert-butyl-4-(hydroxyamino)-4-methyl-2-phenylpyrazol-3-one
CID 118538517
(4S)-4-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-5-methyl-4-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-phenylpyrazol-3-one
CID 124808631
(3aR)-3a-methyl-2-phenyl-4,5,6,7-tetrahydroindazol-3-one
CID 95562569
N-[(4S)-3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl]-4-fluoronaphthalene-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one (CID 43834929) is 4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one is CC1=NN(c2ccccc2)C(=O)C1(C)C1(C)C(=O)N(c2ccccc2)N=C1C.
What is the InChIKey of 4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is RTKZPUFORVKLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-21(3,19(27)25(23-15)17-11-7-5-8-12-17)22(4)16(2)24-26(20(22)28)18-13-9-6-10-14-18/h5-14H,1-4H3.
What are the key properties of 4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one?
4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 374.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 43834929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).