N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide

C18H19N3O2 — CID 167972284

IUPACN-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide
SMILESCCc1oc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1C
InChIInChI=1S/C18H19N3O2/c1-3-16-13(2)9-17(23-16)18(22)20-15-10-19-21(12-15)11-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,20,22)
InChIKeyBTFAGWNTRKWECV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.65
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide

N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide (PubChem CID 167972284) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide
PubChem CID167972284
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide
SMILESCCc1oc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1C
InChIInChI=1S/C18H19N3O2/c1-3-16-13(2)9-17(23-16)18(22)20-15-10-19-21(12-15)11-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,20,22)
InChIKeyBTFAGWNTRKWECV-UHFFFAOYSA-N
XLogP3.65
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 134701053
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
N-(1-benzylpyrazol-4-yl)-3-pyridin-2-yl-1,2-oxazole-5-carboxamide
CID 156596105
N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 147150975
1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 166194202
N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55946939
N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 60552677
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346357

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide (CID 167972284) is N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide is CCc1oc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1C.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide?
The InChIKey is BTFAGWNTRKWECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-16-13(2)9-17(23-16)18(22)20-15-10-19-21(12-15)11-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,20,22).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide is sourced from PubChem (CID 167972284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).