N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide

C17H17N3O2 — CID 42879277

IUPACN-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)nn1C
InChIInChI=1S/C17H17N3O2/c1-19(12-13-7-4-3-5-8-13)17(21)15-11-14(18-20(15)2)16-9-6-10-22-16/h3-11H,12H2,1-2H3
InChIKeyALTHBPGEKXXOIO-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.95
Rot. Bonds4

About N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide

N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 42879277) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide
PubChem CID42879277
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)nn1C
InChIInChI=1S/C17H17N3O2/c1-19(12-13-7-4-3-5-8-13)17(21)15-11-14(18-20(15)2)16-9-6-10-22-16/h3-11H,12H2,1-2H3
InChIKeyALTHBPGEKXXOIO-UHFFFAOYSA-N
XLogP2.95
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
3-(furan-2-yl)-N-[(2-hydroxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 71891279
2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide
CID 59022943
N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide
CID 78855267
N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053760
N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 121076093
ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
CID 143899550
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 1053873
N-benzyl-N,3-dimethylimidazole-4-carboxamide
CID 110851099
N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 61057739
N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide
CID 42656738
N-benzyl-3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053910

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide (CID 42879277) is N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)nn1C.
What is the InChIKey of N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is ALTHBPGEKXXOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-19(12-13-7-4-3-5-8-13)17(21)15-11-14(18-20(15)2)16-9-6-10-22-16/h3-11H,12H2,1-2H3.
What are the key properties of N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide?
N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 42879277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).