5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide

C23H19F2N3O2 — CID 13191329

IUPAC5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CC(c2ccccc2)C(c2ccc(OC(F)F)cc2)=N1
InChIInChI=1S/C23H19F2N3O2/c24-22(25)30-19-13-11-17(12-14-19)21-20(16-7-3-1-4-8-16)15-28(27-21)23(29)26-18-9-5-2-6-10-18/h1-14,20,22H,15H2,(H,26,29)
InChIKeyVQSVWOAMJQEGRD-UHFFFAOYSA-N
MW407.42 g/mol
LogP5.32
Rot. Bonds5

About 5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide

5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 13191329) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID13191329
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CC(c2ccccc2)C(c2ccc(OC(F)F)cc2)=N1
InChIInChI=1S/C23H19F2N3O2/c24-22(25)30-19-13-11-17(12-14-19)21-20(16-7-3-1-4-8-16)15-28(27-21)23(29)26-18-9-5-2-6-10-18/h1-14,20,22H,15H2,(H,26,29)
InChIKeyVQSVWOAMJQEGRD-UHFFFAOYSA-N
XLogP5.32
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.42
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 21294705
5-[4-(difluoromethoxy)phenyl]-4-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 13275000
(4S)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[(3S)-2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl]-3,4-dihydropyrazole-2-carboxamide
CID 99638084
5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 14256918
N-[7-(chloromethyl)-2,2-dimethyl-1,3-benzodioxol-5-yl]-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 21294622
5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 14277338
N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide
CID 21294706
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 139656682
N-[7-(difluoromethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]-4,5-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 21294720
(4S)-5-(4-chlorophenyl)-4-phenyl-N-(4-phenylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 92979239
5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18987670

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide (CID 13191329) is 5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccccc1)N1CC(c2ccccc2)C(c2ccc(OC(F)F)cc2)=N1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is VQSVWOAMJQEGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c24-22(25)30-19-13-11-17(12-14-19)21-20(16-7-3-1-4-8-16)15-28(27-21)23(29)26-18-9-5-2-6-10-18/h1-14,20,22H,15H2,(H,26,29).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide?
5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 13191329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).