1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide

C26H22ClN3O3 — CID 4789908

IUPAC1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1c(C)nn(Cc3ccccc3Cl)c1C)oc1ccccc12
InChIInChI=1S/C26H22ClN3O3/c1-15-25(16(2)30(29-15)14-17-8-4-6-10-20(17)27)26(31)28-21-13-23-19(12-24(21)32-3)18-9-5-7-11-22(18)33-23/h4-13H,14H2,1-3H3,(H,28,31)
InChIKeyDXJWVALZACZHNA-UHFFFAOYSA-N
MW459.93 g/mol
LogP6.36
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 4789908) has the molecular formula C26H22ClN3O3 and a molecular weight of 459.93 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID4789908
Molecular FormulaC26H22ClN3O3
Molecular Weight459.93 g/mol
Exact Mass459.13
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1c(C)nn(Cc3ccccc3Cl)c1C)oc1ccccc12
InChIInChI=1S/C26H22ClN3O3/c1-15-25(16(2)30(29-15)14-17-8-4-6-10-20(17)27)26(31)28-21-13-23-19(12-24(21)32-3)18-9-5-7-11-22(18)33-23/h4-13H,14H2,1-3H3,(H,28,31)
InChIKeyDXJWVALZACZHNA-UHFFFAOYSA-N
XLogP6.36
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.93
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dibenzofuran-2-yl 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate
CID 2469675
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide
CID 8713967
1-[(2-chlorophenyl)methyl]-N-(2-ethylphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 8839325
3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide
CID 3948606
N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 9098208
1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55595610
1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethylfuran-3-carbonyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 7600649
4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 5144775
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N'-(2,4,6-trichlorophenyl)pyrazole-4-carbohydrazide
CID 29204279
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3240435
methyl (E)-4-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]but-2-enoate
CID 146099624
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4560795

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide (CID 4789908) is 1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide is COc1cc2c(cc1NC(=O)c1c(C)nn(Cc3ccccc3Cl)c1C)oc1ccccc12.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is DXJWVALZACZHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3/c1-15-25(16(2)30(29-15)14-17-8-4-6-10-20(17)27)26(31)28-21-13-23-19(12-24(21)32-3)18-9-5-7-11-22(18)33-23/h4-13H,14H2,1-3H3,(H,28,31).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 459.93 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 4789908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).