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

C27H24ClN3O3 — CID 56982754

IUPAC3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide
SMILESCOc1ccc(-c2cn(C(=O)Nc3ccc4c(c3)CC(C)(C)O4)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H24ClN3O3/c1-27(2)15-19-14-21(10-13-24(19)34-27)29-26(32)31-16-23(17-6-11-22(33-3)12-7-17)25(30-31)18-4-8-20(28)9-5-18/h4-14,16H,15H2,1-3H3,(H,29,32)
InChIKeyIEGDFPRONZZZSY-UHFFFAOYSA-N
MW473.96 g/mol
LogP6.67
Rot. Bonds4

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

3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide (PubChem CID 56982754) has the molecular formula C27H24ClN3O3 and a molecular weight of 473.96 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide
PubChem CID56982754
Molecular FormulaC27H24ClN3O3
Molecular Weight473.96 g/mol
Exact Mass473.15
IUPAC Name3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide
SMILESCOc1ccc(-c2cn(C(=O)Nc3ccc4c(c3)CC(C)(C)O4)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H24ClN3O3/c1-27(2)15-19-14-21(10-13-24(19)34-27)29-26(32)31-16-23(17-6-11-22(33-3)12-7-17)25(30-31)18-4-8-20(28)9-5-18/h4-14,16H,15H2,1-3H3,(H,29,32)
InChIKeyIEGDFPRONZZZSY-UHFFFAOYSA-N
XLogP6.67
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.96
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide
CID 57205191
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
3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57319763
3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57036576
N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazole-2-carboxamide
CID 70408799
N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide
CID 57211760
3-(4-chlorophenyl)-N-[4-(4-nitrophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57012967
3-(4-chlorophenyl)-N-(2,2-dimethyl-7-propan-2-yl-1,3-benzodioxol-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57190334
3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57111578

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide (CID 56982754) is 3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide is COc1ccc(-c2cn(C(=O)Nc3ccc4c(c3)CC(C)(C)O4)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide?
The InChIKey is IEGDFPRONZZZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O3/c1-27(2)15-19-14-21(10-13-24(19)34-27)29-26(32)31-16-23(17-6-11-22(33-3)12-7-17)25(30-31)18-4-8-20(28)9-5-18/h4-14,16H,15H2,1-3H3,(H,29,32).
What are the key properties of 3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide?
3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide has a molecular weight of 473.96 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 56982754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).