N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

C23H20FN3O4 — CID 35807805

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H20FN3O4/c1-15-21(23(29)27(26(15)2)17-6-4-3-5-7-17)25-22(28)20-13-12-19(31-20)14-30-18-10-8-16(24)9-11-18/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyVBRGBXJAMVFCIJ-UHFFFAOYSA-N
MW421.43 g/mol
LogP4.05
Rot. Bonds6

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 35807805) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID35807805
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H20FN3O4/c1-15-21(23(29)27(26(15)2)17-6-4-3-5-7-17)25-22(28)20-13-12-19(31-20)14-30-18-10-8-16(24)9-11-18/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyVBRGBXJAMVFCIJ-UHFFFAOYSA-N
XLogP4.05
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-fluorophenyl)methyl]urea
CID 22430467
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide
CID 46612528
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
methyl 2-[[4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19406610
5-[(4-fluorophenoxy)methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 39731102
N-[2-(difluoromethylsulfanyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43000512
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide
CID 1497145
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 78776389
N-[4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19413187
4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 110823611

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 35807805) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is Cc1c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is VBRGBXJAMVFCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c1-15-21(23(29)27(26(15)2)17-6-4-3-5-7-17)25-22(28)20-13-12-19(31-20)14-30-18-10-8-16(24)9-11-18/h3-13H,14H2,1-2H3,(H,25,28).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 35807805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).