N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide

C17H17N3O2 — CID 35761599

IUPACN-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)c(C)o1
InChIInChI=1S/C17H17N3O2/c1-12-8-16(13(2)22-12)17(21)19-15-9-18-20(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyZLAFFMARJPFDTP-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.39
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide

N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 35761599) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID35761599
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)c(C)o1
InChIInChI=1S/C17H17N3O2/c1-12-8-16(13(2)22-12)17(21)19-15-9-18-20(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyZLAFFMARJPFDTP-UHFFFAOYSA-N
XLogP3.39
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide
CID 167972284
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 60552677
2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336310
N-(1-benzylpyrazol-4-yl)-5-bromo-2-iodobenzamide
CID 55983138
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
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)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 134701053
N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 55947460
2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide (CID 35761599) is N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)c(C)o1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is ZLAFFMARJPFDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-8-16(13(2)22-12)17(21)19-15-9-18-20(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.39, 4 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)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 35761599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).