4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C19H13ClF3N3O3 — CID 5144775

IUPAC4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl)oc1ccccc12
InChIInChI=1S/C19H13ClF3N3O3/c1-26-17(19(21,22)23)15(20)16(25-26)18(27)24-11-8-13-10(7-14(11)28-2)9-5-3-4-6-12(9)29-13/h3-8H,1-2H3,(H,24,27)
InChIKeyZKUFJOQLFGFPMA-UHFFFAOYSA-N
MW423.78 g/mol
LogP5.25
Rot. Bonds3

About 4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 5144775) has the molecular formula C19H13ClF3N3O3 and a molecular weight of 423.78 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID5144775
Molecular FormulaC19H13ClF3N3O3
Molecular Weight423.78 g/mol
Exact Mass423.06
IUPAC Name4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl)oc1ccccc12
InChIInChI=1S/C19H13ClF3N3O3/c1-26-17(19(21,22)23)15(20)16(25-26)18(27)24-11-8-13-10(7-14(11)28-2)9-5-3-4-6-12(9)29-13/h3-8H,1-2H3,(H,24,27)
InChIKeyZKUFJOQLFGFPMA-UHFFFAOYSA-N
XLogP5.25
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.78
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4766609
N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 9098208
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide
CID 3948606
3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide
CID 3922547
N-(2-methoxydibenzofuran-3-yl)-1-methyl-6-oxopyridine-2-carboxamide
CID 75390313
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928
1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide
CID 46263215
N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773677
1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 4789908
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 5144775) is 4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is COc1cc2c(cc1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl)oc1ccccc12.
What is the InChIKey of 4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is ZKUFJOQLFGFPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O3/c1-26-17(19(21,22)23)15(20)16(25-26)18(27)24-11-8-13-10(7-14(11)28-2)9-5-3-4-6-12(9)29-13/h3-8H,1-2H3,(H,24,27).
What are the key properties of 4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 423.78 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 5144775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).