5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide

C26H23ClFN3O2 — CID 14277348

IUPAC5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)N3CC(c4ccc(F)cc4)C(c4ccc(Cl)cc4)=N3)ccc2O1
InChIInChI=1S/C26H23ClFN3O2/c1-26(2)14-18-13-21(11-12-23(18)33-26)29-25(32)31-15-22(16-5-9-20(28)10-6-16)24(30-31)17-3-7-19(27)8-4-17/h3-13,22H,14-15H2,1-2H3,(H,29,32)
InChIKeySCKWKSGMRAFPQO-UHFFFAOYSA-N
MW463.94 g/mol
LogP6.23
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 14277348) has the molecular formula C26H23ClFN3O2 and a molecular weight of 463.94 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID14277348
Molecular FormulaC26H23ClFN3O2
Molecular Weight463.94 g/mol
Exact Mass463.15
IUPAC Name5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)N3CC(c4ccc(F)cc4)C(c4ccc(Cl)cc4)=N3)ccc2O1
InChIInChI=1S/C26H23ClFN3O2/c1-26(2)14-18-13-21(11-12-23(18)33-26)29-25(32)31-15-22(16-5-9-20(28)10-6-16)24(30-31)17-3-7-19(27)8-4-17/h3-13,22H,14-15H2,1-2H3,(H,29,32)
InChIKeySCKWKSGMRAFPQO-UHFFFAOYSA-N
XLogP6.23
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.94
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 14277380
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277283
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenyl)sulfanylphenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277336
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 14277424
N-(4-benzoylphenyl)-5-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 171984919
5-(1,3-benzodioxol-5-yl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 21294707
3,4-bis(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazole-1-carboxamide
CID 56984935
N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,4-bis(4-fluorophenyl)pyrazole-1-carboxamide
CID 57316781
5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 14256918
3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide
CID 57205191
N-[7-(difluoromethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]-4,5-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 21294720
N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 19852175

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide (CID 14277348) is 5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide is CC1(C)Cc2cc(NC(=O)N3CC(c4ccc(F)cc4)C(c4ccc(Cl)cc4)=N3)ccc2O1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is SCKWKSGMRAFPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O2/c1-26(2)14-18-13-21(11-12-23(18)33-26)29-25(32)31-15-22(16-5-9-20(28)10-6-16)24(30-31)17-3-7-19(27)8-4-17/h3-13,22H,14-15H2,1-2H3,(H,29,32).
What are the key properties of 5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 463.94 g/mol, XLogP of 6.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 14277348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).