5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide

C23H19BrFN3O2 — CID 134139103

IUPAC5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc(NC(=O)N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19BrFN3O2/c1-30-20-12-10-19(11-13-20)26-23(29)28-22(16-4-8-18(25)9-5-16)14-21(27-28)15-2-6-17(24)7-3-15/h2-13,22H,14H2,1H3,(H,26,29)
InChIKeyKVFQRBAKLYBANP-UHFFFAOYSA-N
MW468.33 g/mol
LogP5.98
Rot. Bonds4

About 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide

5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 134139103) has the molecular formula C23H19BrFN3O2 and a molecular weight of 468.33 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID134139103
Molecular FormulaC23H19BrFN3O2
Molecular Weight468.33 g/mol
Exact Mass467.06
IUPAC Name5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc(NC(=O)N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19BrFN3O2/c1-30-20-12-10-19(11-13-20)26-23(29)28-22(16-4-8-18(25)9-5-16)14-21(27-28)15-2-6-17(24)7-3-15/h2-13,22H,14H2,1H3,(H,26,29)
InChIKeyKVFQRBAKLYBANP-UHFFFAOYSA-N
XLogP5.98
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.33
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-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
3-(4-bromophenyl)-1-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 4273343
N-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 13102612
N-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 13191298
5-[4-(difluoromethoxy)phenyl]-4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 13191299
5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 13191308
N-(4-bromophenyl)-3-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 13191322
5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 13191329
N-[4-[bromo(difluoro)methoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 13235758
5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 13274986
N,5-bis[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 13274989
5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 13274990

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide (CID 134139103) is 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide is COc1ccc(NC(=O)N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is KVFQRBAKLYBANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFN3O2/c1-30-20-12-10-19(11-13-20)26-23(29)28-22(16-4-8-18(25)9-5-16)14-21(27-28)15-2-6-17(24)7-3-15/h2-13,22H,14H2,1H3,(H,26,29).
What are the key properties of 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 468.33 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 134139103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).