N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C18H12F3N3O3 — CID 4766609

IUPACN-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cc(C(F)(F)F)[nH]n1)oc1ccccc12
InChIInChI=1S/C18H12F3N3O3/c1-26-15-6-10-9-4-2-3-5-13(9)27-14(10)7-11(15)22-17(25)12-8-16(24-23-12)18(19,20)21/h2-8H,1H3,(H,22,25)(H,23,24)
InChIKeyPFYVWCUSRLVAEU-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.59
Rot. Bonds3

About N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 4766609) has the molecular formula C18H12F3N3O3 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID4766609
Molecular FormulaC18H12F3N3O3
Molecular Weight375.31 g/mol
Exact Mass375.08
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cc(C(F)(F)F)[nH]n1)oc1ccccc12
InChIInChI=1S/C18H12F3N3O3/c1-26-15-6-10-9-4-2-3-5-13(9)27-14(10)7-11(15)22-17(25)12-8-16(24-23-12)18(19,20)21/h2-8H,1H3,(H,22,25)(H,23,24)
InChIKeyPFYVWCUSRLVAEU-UHFFFAOYSA-N
XLogP4.59
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 5144775
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide
CID 46263215
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928
N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773677
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide
CID 3922547
N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide
CID 2552958
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8612861
N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine
CID 3105325
2-hydroxy-N-(2-methoxydibenzofuran-3-yl)cyclopentane-1-carboxamide
CID 110013791

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 4766609) is N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is COc1cc2c(cc1NC(=O)c1cc(C(F)(F)F)[nH]n1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is PFYVWCUSRLVAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3/c1-26-15-6-10-9-4-2-3-5-13(9)27-14(10)7-11(15)22-17(25)12-8-16(24-23-12)18(19,20)21/h2-8H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 375.31 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 4766609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).