1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide

C22H25N3O3 — CID 51188630

IUPAC1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide
SMILESCOCCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1
InChIInChI=1S/C22H25N3O3/c1-27-13-7-12-23-22(26)20-16-25(15-17-8-4-3-5-9-17)24-21(20)18-10-6-11-19(14-18)28-2/h3-6,8-11,14,16H,7,12-13,15H2,1-2H3,(H,23,26)
InChIKeyDRVMOTQGZSWEOG-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.37
Rot. Bonds9

About 1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide

1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide (PubChem CID 51188630) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide
PubChem CID51188630
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide
SMILESCOCCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1
InChIInChI=1S/C22H25N3O3/c1-27-13-7-12-23-22(26)20-16-25(15-17-8-4-3-5-9-17)24-21(20)18-10-6-11-19(14-18)28-2/h3-6,8-11,14,16H,7,12-13,15H2,1-2H3,(H,23,26)
InChIKeyDRVMOTQGZSWEOG-UHFFFAOYSA-N
XLogP3.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17435310
methyl 4-[2-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]benzoate
CID 55512860
1-benzyl-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 27514913
1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 55382205
1-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 120653115
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 43016952
1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 112772180
1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 42916251
N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate
CID 55837549
1-benzyl-3-(3-methoxyphenyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 55619315

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide (CID 51188630) is 1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide is COCCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1.
What is the InChIKey of 1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide?
The InChIKey is DRVMOTQGZSWEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-13-7-12-23-22(26)20-16-25(15-17-8-4-3-5-9-17)24-21(20)18-10-6-11-19(14-18)28-2/h3-6,8-11,14,16H,7,12-13,15H2,1-2H3,(H,23,26).
What are the key properties of 1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide?
1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 51188630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).