N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide

C19H23N3O2 — CID 119071114

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)N(C)CCc3c(C)n[nH]c3C)coc2c1
InChIInChI=1S/C19H23N3O2/c1-12-5-6-17-15(11-24-18(17)9-12)10-19(23)22(4)8-7-16-13(2)20-21-14(16)3/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyXNJFCPHGDKKQBD-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 119071114) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID119071114
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)N(C)CCc3c(C)n[nH]c3C)coc2c1
InChIInChI=1S/C19H23N3O2/c1-12-5-6-17-15(11-24-18(17)9-12)10-19(23)22(4)8-7-16-13(2)20-21-14(16)3/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyXNJFCPHGDKKQBD-UHFFFAOYSA-N
XLogP3.32
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 24818861
N-Benzyl-3-(furan-2-YL)-N-methyl-1H-pyrazole-5-carboxamide
CID 20918213
5-(3,5-dimethyl-2-furoyl)-3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 42098100
3-(Furan-2-yl)-1-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 46989994
(3,6-dimethyl-1-benzofuran-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56749529
6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-fluorophenyl)-5-isopropoxy-N-methyl-benzofuran-3-carboxamide
CID 16073341
6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-fluorophenyl)-5-methoxy-N-methyl-benzofuran-3-carboxamide
CID 16073350
3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134809542
3-(Furan-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 25286245
5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56758667
(2S)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 126447627
2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 164635069

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 119071114) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)N(C)CCc3c(C)n[nH]c3C)coc2c1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is XNJFCPHGDKKQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-5-6-17-15(11-24-18(17)9-12)10-19(23)22(4)8-7-16-13(2)20-21-14(16)3/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.32, 5 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-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 119071114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).