1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide

C22H23N3O — CID 78873081

IUPAC1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCc3ccccc32)cnn1Cc1ccccc1
InChIInChI=1S/C22H23N3O/c1-2-21-19(14-23-25(21)15-16-8-4-3-5-9-16)22(26)24-20-13-12-17-10-6-7-11-18(17)20/h3-11,14,20H,2,12-13,15H2,1H3,(H,24,26)
InChIKeyQZWAWWGHFGJQLP-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.91
Rot. Bonds5

About 1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide

1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide (PubChem CID 78873081) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide
PubChem CID78873081
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCc3ccccc32)cnn1Cc1ccccc1
InChIInChI=1S/C22H23N3O/c1-2-21-19(14-23-25(21)15-16-8-4-3-5-9-16)22(26)24-20-13-12-17-10-6-7-11-18(17)20/h3-11,14,20H,2,12-13,15H2,1H3,(H,24,26)
InChIKeyQZWAWWGHFGJQLP-UHFFFAOYSA-N
XLogP3.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide
CID 78872570
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896
1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 112823781
1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120601726
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 124841815
N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873962
N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493888
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56760299
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide (CID 78873081) is 1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)NC2CCc3ccccc32)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide?
The InChIKey is QZWAWWGHFGJQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-21-19(14-23-25(21)15-16-8-4-3-5-9-16)22(26)24-20-13-12-17-10-6-7-11-18(17)20/h3-11,14,20H,2,12-13,15H2,1H3,(H,24,26).
What are the key properties of 1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide?
1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78873081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).