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

C17H19N3O2 — CID 29096537

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H19N3O2/c1-11-14(12(2)19-18-11)8-9-20(3)17(21)16-10-13-6-4-5-7-15(13)22-16/h4-7,10H,8-9H2,1-3H3,(H,18,19)
InChIKeyHOZKELNYYPHLJK-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.09
Rot. Bonds4

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

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 29096537) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide
PubChem CID29096537
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H19N3O2/c1-11-14(12(2)19-18-11)8-9-20(3)17(21)16-10-13-6-4-5-7-15(13)22-16/h4-7,10H,8-9H2,1-3H3,(H,18,19)
InChIKeyHOZKELNYYPHLJK-UHFFFAOYSA-N
XLogP3.09
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide
CID 77093849
4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid
CID 43235400
5-chloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2-dimethylbenzamide
CID 77079296
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 77083511
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide
CID 70732734
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide
CID 70711760
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyridin-2-ylacetamide
CID 77085816
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 71867002
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 119071114
(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 97119544
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide
CID 118777151
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide
CID 119059144

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide (CID 29096537) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide is Cc1n[nH]c(C)c1CCN(C)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is HOZKELNYYPHLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-14(12(2)19-18-11)8-9-20(3)17(21)16-10-13-6-4-5-7-15(13)22-16/h4-7,10H,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 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]-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 29096537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).