5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide

C27H18Cl2FN3O2 — CID 2742779

IUPAC5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C27H18Cl2FN3O2/c1-16-23(14-25(35-16)18-4-8-20(29)9-5-18)27(34)31-26-15-24(17-2-6-19(28)7-3-17)32-33(26)22-12-10-21(30)11-13-22/h2-15H,1H3,(H,31,34)
InChIKeyHCYPDGXNDIEGAP-UHFFFAOYSA-N
MW506.36 g/mol
LogP7.81
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide

5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide (PubChem CID 2742779) has the molecular formula C27H18Cl2FN3O2 and a molecular weight of 506.36 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide
PubChem CID2742779
Molecular FormulaC27H18Cl2FN3O2
Molecular Weight506.36 g/mol
Exact Mass505.08
IUPAC Name5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C27H18Cl2FN3O2/c1-16-23(14-25(35-16)18-4-8-20(29)9-5-18)27(34)31-26-15-24(17-2-6-19(28)7-3-17)32-33(26)22-12-10-21(30)11-13-22/h2-15H,1H3,(H,31,34)
InChIKeyHCYPDGXNDIEGAP-UHFFFAOYSA-N
XLogP7.81
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.36
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Chlorophenyl)-N-[1-(4-fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]-2-methyl-3-furancarboxamide
CID 2742756
N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742775
N-[3-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-YL]-4-fluorobenzamide
CID 24720476
N-[3-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-YL]-3-fluoro-5-(trifluoromethyl)benzamide
CID 46088030
2-Chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-YL]benzamide
CID 46088039
3-Chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-5-YL]benzamide
CID 46088042
2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
CID 46704783
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-(furan-2-yl)propanamide
CID 52555202
N-[2-[3,5-bis(trifluoromethyl)phenyl]-5-(furan-2-yl)pyrazol-3-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742782
N-[N-(3-chloro-5-fluorophenyl)-N'-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 137029639
5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide
CID 146329887
5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide
CID 2742768

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide (CID 2742779) is 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide is Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide?
The InChIKey is HCYPDGXNDIEGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2FN3O2/c1-16-23(14-25(35-16)18-4-8-20(29)9-5-18)27(34)31-26-15-24(17-2-6-19(28)7-3-17)32-33(26)22-12-10-21(30)11-13-22/h2-15H,1H3,(H,31,34).
What are the key properties of 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide?
5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide has a molecular weight of 506.36 g/mol, XLogP of 7.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 2742779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).