4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

C31H33N5O2 — CID 3835186

IUPAC4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCCN(CC)c1ccccc1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C31H33N5O2/c1-5-34(6-2)26-20-14-13-19-25(26)29(27-21(3)32-35(30(27)37)23-15-9-7-10-16-23)28-22(4)33-36(31(28)38)24-17-11-8-12-18-24/h7-20,29,32-33H,5-6H2,1-4H3
InChIKeyFAIXOMQZDUGWGQ-UHFFFAOYSA-N
MW507.64 g/mol
LogP5.29
Rot. Bonds8

About 4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (PubChem CID 3835186) has the molecular formula C31H33N5O2 and a molecular weight of 507.64 g/mol. Its IUPAC name is 4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
PubChem CID3835186
Molecular FormulaC31H33N5O2
Molecular Weight507.64 g/mol
Exact Mass507.26
IUPAC Name4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCCN(CC)c1ccccc1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C31H33N5O2/c1-5-34(6-2)26-20-14-13-19-25(26)29(27-21(3)32-35(30(27)37)23-15-9-7-10-16-23)28-22(4)33-36(31(28)38)24-17-11-8-12-18-24/h7-20,29,32-33H,5-6H2,1-4H3
InChIKeyFAIXOMQZDUGWGQ-UHFFFAOYSA-N
XLogP5.29
TPSA78.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 139229959
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4-[(5-chloro-2-hydroxy-3-iodophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 50883477

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (CID 3835186) is 4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one is CCN(CC)c1ccccc1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The InChIKey is FAIXOMQZDUGWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O2/c1-5-34(6-2)26-20-14-13-19-25(26)29(27-21(3)32-35(30(27)37)23-15-9-7-10-16-23)28-22(4)33-36(31(28)38)24-17-11-8-12-18-24/h7-20,29,32-33H,5-6H2,1-4H3.
What are the key properties of 4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one has a molecular weight of 507.64 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(diethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 3835186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).