4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide

C20H19N3O2 — CID 91113005

IUPAC4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(-n2ncc3c2-c2ccccc2C3)cc1
InChIInChI=1S/C20H19N3O2/c1-25-11-10-21-20(24)14-6-8-17(9-7-14)23-19-16(13-22-23)12-15-4-2-3-5-18(15)19/h2-9,13H,10-12H2,1H3,(H,21,24)
InChIKeyPROPCWHXDGSNQF-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.82
Rot. Bonds5

About 4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide

4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide (PubChem CID 91113005) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide
PubChem CID91113005
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(-n2ncc3c2-c2ccccc2C3)cc1
InChIInChI=1S/C20H19N3O2/c1-25-11-10-21-20(24)14-6-8-17(9-7-14)23-19-16(13-22-23)12-15-4-2-3-5-18(15)19/h2-9,13H,10-12H2,1H3,(H,21,24)
InChIKeyPROPCWHXDGSNQF-UHFFFAOYSA-N
XLogP2.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
CID 30281157
N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide
CID 3590372
N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953968
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 4309811
N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 99969655
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862190
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
methyl 5-amino-1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363579
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425

Frequently Asked Questions

What is the IUPAC name of 4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide (CID 91113005) is 4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(-n2ncc3c2-c2ccccc2C3)cc1.
What is the InChIKey of 4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide?
The InChIKey is PROPCWHXDGSNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-11-10-21-20(24)14-6-8-17(9-7-14)23-19-16(13-22-23)12-15-4-2-3-5-18(15)19/h2-9,13H,10-12H2,1H3,(H,21,24).
What are the key properties of 4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide?
4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide has a molecular weight of 333.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 91113005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).