2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide

C20H19N3O2 — CID 75388015

IUPAC2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1cc2c(ccc3ccccc32)o1)c1cnn(C)c1
InChIInChI=1S/C20H19N3O2/c1-13(15-11-21-23(2)12-15)22-20(24)10-16-9-18-17-6-4-3-5-14(17)7-8-19(18)25-16/h3-9,11-13H,10H2,1-2H3,(H,22,24)
InChIKeyJZRZZQSEWZNMTB-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.74
Rot. Bonds4

About 2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide

2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 75388015) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID75388015
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1cc2c(ccc3ccccc32)o1)c1cnn(C)c1
InChIInChI=1S/C20H19N3O2/c1-13(15-11-21-23(2)12-15)22-20(24)10-16-9-18-17-6-4-3-5-14(17)7-8-19(18)25-16/h3-9,11-13H,10H2,1-2H3,(H,22,24)
InChIKeyJZRZZQSEWZNMTB-UHFFFAOYSA-N
XLogP3.74
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-benzo[e][1]benzofuran-2-ylacetyl)amino]-3-methylbutanoic acid
CID 120537096
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111481795
2-[3-[1-(1-methylpyrazol-4-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 120550055
3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 97347944
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 124567895
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 119957335
3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 119781515
1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one
CID 116604835
N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide
CID 100565674
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110472970

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide (CID 75388015) is 2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide is CC(NC(=O)Cc1cc2c(ccc3ccccc32)o1)c1cnn(C)c1.
What is the InChIKey of 2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is JZRZZQSEWZNMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13(15-11-21-23(2)12-15)22-20(24)10-16-9-18-17-6-4-3-5-14(17)7-8-19(18)25-16/h3-9,11-13H,10H2,1-2H3,(H,22,24).
What are the key properties of 2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide?
2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 75388015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).