4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

C30H30N4O3 — CID 2841660

IUPAC4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCOc1ccc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C30H30N4O3/c1-20-26(29(35)33(31(20)3)23-12-8-6-9-13-23)28(22-16-18-25(37-5)19-17-22)27-21(2)32(4)34(30(27)36)24-14-10-7-11-15-24/h6-19,28H,1-5H3
InChIKeyBYZNSNYKJZHEAP-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.47
Rot. Bonds6

About 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 2841660) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID2841660
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCOc1ccc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C30H30N4O3/c1-20-26(29(35)33(31(20)3)23-12-8-6-9-13-23)28(22-16-18-25(37-5)19-17-22)27-21(2)32(4)34(30(27)36)24-14-10-7-11-15-24/h6-19,28H,1-5H3
InChIKeyBYZNSNYKJZHEAP-UHFFFAOYSA-N
XLogP4.47
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one with MolForge

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Related Compounds

4-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 2841659
N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2951421
4,4'-[(3,4-dimethoxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
CID 2834122
4,4'-[(4-hydroxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
CID 2841674
Methyl 4-[bis(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]benzoate
CID 2841693
5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-phenyl-1H-pyrazol-3-one
CID 2884739
4-[(3,4-dimethoxyphenyl)(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-phenyl-1H-pyrazol-5-ol
CID 3118982
4-[(2,3-dimethoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 3147155
4,4'-[(4-ethoxy-3-methoxyphenyl)methanediyl]bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)
CID 15991185
1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide
CID 46891349
4-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(4-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 54692789
N-[1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbonyl}-2-(4-methoxyphenyl)vinyl]-4-methylbenzamide
CID 5736175

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 2841660) is 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one is COc1ccc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is BYZNSNYKJZHEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-20-26(29(35)33(31(20)3)23-12-8-6-9-13-23)28(22-16-18-25(37-5)19-17-22)27-21(2)32(4)34(30(27)36)24-14-10-7-11-15-24/h6-19,28H,1-5H3.
What are the key properties of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 494.60 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 2841660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).