N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide

C22H25N3O2 — CID 42755291

IUPACN-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(C)cc1
InChIInChI=1S/C22H25N3O2/c1-4-5-14-23-22(26)21-15-20(17-8-12-19(27-3)13-9-17)24-25(21)18-10-6-16(2)7-11-18/h6-13,15H,4-5,14H2,1-3H3,(H,23,26)
InChIKeyGHXBWINOFKCTAJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.39
Rot. Bonds7

About N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide

N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide (PubChem CID 42755291) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
PubChem CID42755291
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(C)cc1
InChIInChI=1S/C22H25N3O2/c1-4-5-14-23-22(26)21-15-20(17-8-12-19(27-3)13-9-17)24-25(21)18-10-6-16(2)7-11-18/h6-13,15H,4-5,14H2,1-3H3,(H,23,26)
InChIKeyGHXBWINOFKCTAJ-UHFFFAOYSA-N
XLogP4.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.39
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-butyl-1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3993802
1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
CID 42754567
3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 42755289
N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4212404
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 42755387
N-butyl-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 4005043
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 4553947
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5224331
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755338
3-(4-fluorophenyl)-N-(2-methoxyethyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 4558582
1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5195626
N-butyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514814

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide (CID 42755291) is N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide is CCCCNC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(C)cc1.
What is the InChIKey of N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is GHXBWINOFKCTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-5-14-23-22(26)21-15-20(17-8-12-19(27-3)13-9-17)24-25(21)18-10-6-16(2)7-11-18/h6-13,15H,4-5,14H2,1-3H3,(H,23,26).
What are the key properties of N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42755291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).