methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate

C17H14FN3O4 — CID 75477756

IUPACmethyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(C(=O)Nc2cc(C)nn2-c2ccccc2F)c1
InChIInChI=1S/C17H14FN3O4/c1-10-7-15(21(20-10)13-6-4-3-5-12(13)18)19-16(22)14-8-11(9-25-14)17(23)24-2/h3-9H,1-2H3,(H,19,22)
InChIKeyHYYGZPPIFBNJFB-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.95
Rot. Bonds4

About methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate

methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate (PubChem CID 75477756) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate
PubChem CID75477756
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Namemethyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(C(=O)Nc2cc(C)nn2-c2ccccc2F)c1
InChIInChI=1S/C17H14FN3O4/c1-10-7-15(21(20-10)13-6-4-3-5-12(13)18)19-16(22)14-8-11(9-25-14)17(23)24-2/h3-9H,1-2H3,(H,19,22)
InChIKeyHYYGZPPIFBNJFB-UHFFFAOYSA-N
XLogP2.95
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
CID 47027818
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide
CID 47027812
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
CID 99453843
methyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate
CID 75506103
2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide
CID 176859290
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate
CID 99134469
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide
CID 60507872
1-(2-fluorophenyl)-5-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyrazole-4-carboxamide
CID 55520788
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 78900416
2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752929
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate (CID 75477756) is methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate is COC(=O)c1coc(C(=O)Nc2cc(C)nn2-c2ccccc2F)c1.
What is the InChIKey of methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate?
The InChIKey is HYYGZPPIFBNJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-10-7-15(21(20-10)13-6-4-3-5-12(13)18)19-16(22)14-8-11(9-25-14)17(23)24-2/h3-9H,1-2H3,(H,19,22).
What are the key properties of methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate?
methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate has a molecular weight of 343.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate is sourced from PubChem (CID 75477756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).