N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide

C28H20Cl3N3O2 — CID 70408814

IUPACN-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)N1CC(c2ccc(Cl)cc2)=C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C28H20Cl3N3O2/c29-20-8-4-18(5-9-20)26-17-34(33-27(26)19-6-10-21(30)11-7-19)28(35)32-23-12-14-24(15-13-23)36-25-3-1-2-22(31)16-25/h1-16,33H,17H2,(H,32,35)
InChIKeySZLWIDNRFWBNAP-UHFFFAOYSA-N
MW536.85 g/mol
LogP8.36
Rot. Bonds5

About N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide

N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide (PubChem CID 70408814) has the molecular formula C28H20Cl3N3O2 and a molecular weight of 536.85 g/mol. Its IUPAC name is N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide
PubChem CID70408814
Molecular FormulaC28H20Cl3N3O2
Molecular Weight536.85 g/mol
Exact Mass535.06
IUPAC NameN-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)N1CC(c2ccc(Cl)cc2)=C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C28H20Cl3N3O2/c29-20-8-4-18(5-9-20)26-17-34(33-27(26)19-6-10-21(30)11-7-19)28(35)32-23-12-14-24(15-13-23)36-25-3-1-2-22(31)16-25/h1-16,33H,17H2,(H,32,35)
InChIKeySZLWIDNRFWBNAP-UHFFFAOYSA-N
XLogP8.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.85
LogP ≤ 58.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-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

N-[4-(4-chlorophenoxy)phenyl]-4,5-bis(4-fluorophenyl)-1,3-dihydropyrazole-2-carboxamide
CID 70409617
N-[4-(4-chlorophenoxy)phenyl]-5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-dihydropyrazole-2-carboxamide
CID 70408104
N-[4-(4-tert-butylphenoxy)phenyl]-5-(4-chlorophenyl)-4-phenyl-1,3-dihydropyrazole-2-carboxamide
CID 70408088
4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-5-phenyl-1,3-dihydropyrazole-2-carbothioamide
CID 88642615
5-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dihydropyrazole-2-carboxamide
CID 70408610
4,5-bis(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dihydropyrazole-2-carboxamide
CID 70409603
4-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-(4-methoxyphenyl)-1,3-dihydropyrazole-2-carboxamide
CID 70408602
5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)-1,3-dihydropyrazole-2-carboxamide
CID 70409520
4,5-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-dihydropyrazole-2-carbothioamide
CID 88642585
5-(4-chlorophenyl)-4-(2-deuteriophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-dihydropyrazole-2-carboxamide
CID 150606383
N'-(3-chlorophenyl)-N-(4-phenoxyphenyl)oxamide
CID 44996265
3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 111431565

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide?
The IUPAC name of N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide (CID 70408814) is N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)N1CC(c2ccc(Cl)cc2)=C(c2ccc(Cl)cc2)N1.
What is the InChIKey of N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide?
The InChIKey is SZLWIDNRFWBNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl3N3O2/c29-20-8-4-18(5-9-20)26-17-34(33-27(26)19-6-10-21(30)11-7-19)28(35)32-23-12-14-24(15-13-23)36-25-3-1-2-22(31)16-25/h1-16,33H,17H2,(H,32,35).
What are the key properties of N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide?
N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide has a molecular weight of 536.85 g/mol, XLogP of 8.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 70408814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).