N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C24H27N3O2 — CID 55814053

IUPACN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C24H27N3O2/c1-27(24(28)20-11-12-23-19(16-20)13-15-29-23)14-7-3-6-10-21-17-22(26-25-21)18-8-4-2-5-9-18/h2,4-5,8-9,11-12,16-17H,3,6-7,10,13-15H2,1H3,(H,25,26)
InChIKeyDGZZMKZPKCROBP-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.50
Rot. Bonds8

About N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 55814053) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID55814053
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C24H27N3O2/c1-27(24(28)20-11-12-23-19(16-20)13-15-29-23)14-7-3-6-10-21-17-22(26-25-21)18-8-4-2-5-9-18/h2,4-5,8-9,11-12,16-17H,3,6-7,10,13-15H2,1H3,(H,25,26)
InChIKeyDGZZMKZPKCROBP-UHFFFAOYSA-N
XLogP4.50
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
CID 119737086
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 87042710
N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 107206756
N-methyl-1,1,3-trioxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 55960540
1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide
CID 52692656
N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55814145
4-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-nitrobenzamide
CID 52692671
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55977344
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55976056
3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
CID 55863145
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55814051
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide
CID 119296838

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 55814053) is N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide is CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is DGZZMKZPKCROBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-27(24(28)20-11-12-23-19(16-20)13-15-29-23)14-7-3-6-10-21-17-22(26-25-21)18-8-4-2-5-9-18/h2,4-5,8-9,11-12,16-17H,3,6-7,10,13-15H2,1H3,(H,25,26).
What are the key properties of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 55814053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).