N-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide

C25H25N3O2 — CID 164609673

IUPACN-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide
SMILESCCNC(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H25N3O2/c1-3-26-25(29)20-9-13-21(14-10-20)28-24(19-11-15-22(30-2)16-12-19)17-23(27-28)18-7-5-4-6-8-18/h4-16,24H,3,17H2,1-2H3,(H,26,29)
InChIKeyFCVZZCJJLVWTGM-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.80
Rot. Bonds6

About N-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide

N-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide (PubChem CID 164609673) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide
PubChem CID164609673
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide
SMILESCCNC(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H25N3O2/c1-3-26-25(29)20-9-13-21(14-10-20)28-24(19-11-15-22(30-2)16-12-19)17-23(27-28)18-7-5-4-6-8-18/h4-16,24H,3,17H2,1-2H3,(H,26,29)
InChIKeyFCVZZCJJLVWTGM-UHFFFAOYSA-N
XLogP4.80
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
4-(5-(4-Methoxy-phenyl)-3-phenyl-4,5-dihydro-pyrazol-1-YL)-benzoic acid
CID 5181298
(5R)-6-[4-({2-[(4-methoxyphenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
CID 23647040
[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 6737699
3-[4-[[2-[(4-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 44352035
[4-[5-Tert-butyl-3-(3,5-difluoro-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 164622052
4-[5-(4-Methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 4609705
N-(4-methoxyphenyl)-4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzamide
CID 1087197
N-{4-[1-benzoyl-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
CID 5156992
4-(4-methoxybenzylamino)-N-(2-aminophenyl)benzamide
CID 22478630
N-[3-(4-Dimethylaminomethyl-phenylcarbamoyl)-benzyl]-4-methoxy-3-methyl-benzamide
CID 25054568
N1-(4-(4-methoxybenzoyl)phenyl)-N2-(4-methoxyphenethyl)oxalamide
CID 110876908

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide?
The IUPAC name of N-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide (CID 164609673) is N-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide.
What is the SMILES notation for N-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide?
The canonical SMILES for N-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide is CCNC(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(OC)cc2)cc1.
What is the InChIKey of N-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide?
The InChIKey is FCVZZCJJLVWTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-26-25(29)20-9-13-21(14-10-20)28-24(19-11-15-22(30-2)16-12-19)17-23(27-28)18-7-5-4-6-8-18/h4-16,24H,3,17H2,1-2H3,(H,26,29).
What are the key properties of N-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide?
N-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide is sourced from PubChem (CID 164609673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).