N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide

C21H23N3O2 — CID 4862190

IUPACN-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
SMILESCOCCCNC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1
InChIInChI=1S/C21H23N3O2/c1-16-15-20(17-7-4-3-5-8-17)24(23-16)19-11-9-18(10-12-19)21(25)22-13-6-14-26-2/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,22,25)
InChIKeyPUTBWZZSZCRASA-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.61
Rot. Bonds7

About N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide

N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide (PubChem CID 4862190) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
PubChem CID4862190
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
SMILESCOCCCNC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1
InChIInChI=1S/C21H23N3O2/c1-16-15-20(17-7-4-3-5-8-17)24(23-16)19-11-9-18(10-12-19)21(25)22-13-6-14-26-2/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,22,25)
InChIKeyPUTBWZZSZCRASA-UHFFFAOYSA-N
XLogP3.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.61
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

N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862170
(4-methoxycarbonylphenyl) 4-(3-methyl-5-phenylpyrazol-1-yl)benzoate
CID 4862192
4-(3-methyl-5-phenylpyrazol-1-yl)benzoate
CID 7140279
N-cyclohexyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862165
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 110022369
4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 4309811
N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 5309119
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide
CID 4862205
N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862246
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide (CID 4862190) is N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide is COCCCNC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
The InChIKey is PUTBWZZSZCRASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-15-20(17-7-4-3-5-8-17)24(23-16)19-11-9-18(10-12-19)21(25)22-13-6-14-26-2/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide is sourced from PubChem (CID 4862190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).