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

C40H34Cl2F2N6O3 — CID 161046518

IUPAC5-(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
SMILESCC1CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccccc1.O=C(Nc1ccc(OC(F)F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C23H18ClF2N3O2.C17H16ClN3O/c24-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-29(28-21)23(30)27-18-10-12-19(13-11-18)31-22(25)26;1-12-11-21(20-16(12)13-5-3-2-4-6-13)17(22)19-15-9-7-14(18)8-10-15/h1-13,20,22H,14H2,(H,27,30);2-10,12H,11H2,1H3,(H,19,22)
InChIKeyUBONHMMWKRJFPX-UHFFFAOYSA-N
MW755.65 g/mol
LogP10.20
Rot. Bonds7

About 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

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 (PubChem CID 161046518) has the molecular formula C40H34Cl2F2N6O3 and a molecular weight of 755.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID161046518
Molecular FormulaC40H34Cl2F2N6O3
Molecular Weight755.65 g/mol
Exact Mass754.20
IUPAC Name5-(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
SMILESCC1CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccccc1.O=C(Nc1ccc(OC(F)F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C23H18ClF2N3O2.C17H16ClN3O/c24-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-29(28-21)23(30)27-18-10-12-19(13-11-18)31-22(25)26;1-12-11-21(20-16(12)13-5-3-2-4-6-13)17(22)19-15-9-7-14(18)8-10-15/h1-13,20,22H,14H2,(H,27,30);2-10,12H,11H2,1H3,(H,19,22)
InChIKeyUBONHMMWKRJFPX-UHFFFAOYSA-N
XLogP10.20
TPSA98.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.65
LogP ≤ 510.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccccc1.O=C(Nc1ccc(OC(F)F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 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?
The InChIKey is UBONHMMWKRJFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N3O2.C17H16ClN3O/c24-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-29(28-21)23(30)27-18-10-12-19(13-11-18)31-22(25)26;1-12-11-21(20-16(12)13-5-3-2-4-6-13)17(22)19-15-9-7-14(18)8-10-15/h1-13,20,22H,14H2,(H,27,30);2-10,12H,11H2,1H3,(H,19,22).
What are the key properties of 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?
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 has a molecular weight of 755.65 g/mol, XLogP of 10.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161046518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).