2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide

C24H20ClF2N3O2 — CID 139656682

IUPAC2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C24H20ClF2N3O2/c25-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)14-30(29-23)15-22(31)28-19-10-12-20(13-11-19)32-24(26)27/h1-13,21,24H,14-15H2,(H,28,31)
InChIKeyJGAQMNIXSJGWLY-UHFFFAOYSA-N
MW455.89 g/mol
LogP5.38
Rot. Bonds7

About 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide

2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 139656682) has the molecular formula C24H20ClF2N3O2 and a molecular weight of 455.89 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID139656682
Molecular FormulaC24H20ClF2N3O2
Molecular Weight455.89 g/mol
Exact Mass455.12
IUPAC Name2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C24H20ClF2N3O2/c25-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)14-30(29-23)15-22(31)28-19-10-12-20(13-11-19)32-24(26)27/h1-13,21,24H,14-15H2,(H,28,31)
InChIKeyJGAQMNIXSJGWLY-UHFFFAOYSA-N
XLogP5.38
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.89
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]acetyl]amino]benzoate
CID 139656451
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-nitrophenyl)acetamide
CID 139656354
5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide;N-(4-chlorophenyl)-4-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 161046518
5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 13191329
2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 139628114
2-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 139628110
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide
CID 139656805
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 120759324
N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
CID 139628128
5-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 21294705
(4S)-5-(4-chlorophenyl)-4-phenyl-N-(4-phenylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 92979239
N-[7-(chloromethyl)-2,2-dimethyl-1,3-benzodioxol-5-yl]-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 21294622

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide (CID 139656682) is 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide is O=C(CN1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is JGAQMNIXSJGWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3O2/c25-18-8-6-17(7-9-18)23-21(16-4-2-1-3-5-16)14-30(29-23)15-22(31)28-19-10-12-20(13-11-19)32-24(26)27/h1-13,21,24H,14-15H2,(H,28,31).
What are the key properties of 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 455.89 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 139656682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).