N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide

C18H21N3O2 — CID 126828085

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)NCCc3c(C)n[nH]c3C)c2c1
InChIInChI=1S/C18H21N3O2/c1-4-13-5-6-17-15(9-13)16(10-23-17)18(22)19-8-7-14-11(2)20-21-12(14)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,22)(H,20,21)
InChIKeySKLLTDLZERQLJO-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide (PubChem CID 126828085) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide
PubChem CID126828085
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)NCCc3c(C)n[nH]c3C)c2c1
InChIInChI=1S/C18H21N3O2/c1-4-13-5-6-17-15(9-13)16(10-23-17)18(22)19-8-7-14-11(2)20-21-12(14)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,22)(H,20,21)
InChIKeySKLLTDLZERQLJO-UHFFFAOYSA-N
XLogP3.31
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide
CID 126841948
5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 100653314
N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide
CID 122141182
5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide
CID 122158461
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110717138
2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717146
2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717101
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide
CID 112529920
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 131936437
N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 46983866
(2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 171149651

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide (CID 126828085) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide is CCc1ccc2occ(C(=O)NCCc3c(C)n[nH]c3C)c2c1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide?
The InChIKey is SKLLTDLZERQLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-13-5-6-17-15(9-13)16(10-23-17)18(22)19-8-7-14-11(2)20-21-12(14)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 126828085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).