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

C23H18BrF2N3O2 — CID 13102612

IUPACN-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CC(c2ccccc2)C(c2ccc(OC(F)F)cc2)=N1
InChIInChI=1S/C23H18BrF2N3O2/c24-17-8-10-18(11-9-17)27-23(30)29-14-20(15-4-2-1-3-5-15)21(28-29)16-6-12-19(13-7-16)31-22(25)26/h1-13,20,22H,14H2,(H,27,30)
InChIKeyVTMACRVOBDWZHU-UHFFFAOYSA-N
MW486.32 g/mol
LogP6.09
Rot. Bonds5

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

N-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 13102612) has the molecular formula C23H18BrF2N3O2 and a molecular weight of 486.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID13102612
Molecular FormulaC23H18BrF2N3O2
Molecular Weight486.32 g/mol
Exact Mass485.06
IUPAC NameN-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CC(c2ccccc2)C(c2ccc(OC(F)F)cc2)=N1
InChIInChI=1S/C23H18BrF2N3O2/c24-17-8-10-18(11-9-17)27-23(30)29-14-20(15-4-2-1-3-5-15)21(28-29)16-6-12-19(13-7-16)31-22(25)26/h1-13,20,22H,14H2,(H,27,30)
InChIKeyVTMACRVOBDWZHU-UHFFFAOYSA-N
XLogP6.09
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.32
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromophenyl)-5-(4-methoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 2953364
5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 134139103
N-(4-bromophenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56683499
N-(4-bromophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56659682
N-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56666596
N-(4-bromophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56676838
1-(4-bromophenyl)-3-[(E)-[(E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-enylidene]amino]urea
CID 136240132
N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 13102611
5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 13102613
5-[4-(difluoromethoxy)phenyl]-N-(4-nitrophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 13102614
4-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 13191296
N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 13191297

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 13102612) is N-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(Br)cc1)N1CC(c2ccccc2)C(c2ccc(OC(F)F)cc2)=N1.
What is the InChIKey of N-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is VTMACRVOBDWZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrF2N3O2/c24-17-8-10-18(11-9-17)27-23(30)29-14-20(15-4-2-1-3-5-15)21(28-29)16-6-12-19(13-7-16)31-22(25)26/h1-13,20,22H,14H2,(H,27,30).
What are the key properties of N-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 486.32 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 13102612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).