N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide

C23H27N3O3 — CID 42662540

IUPACN-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccc(OC)cc2OC)nn1-c1cccc(C)c1
InChIInChI=1S/C23H27N3O3/c1-5-6-12-24-23(27)21-15-20(19-11-10-18(28-3)14-22(19)29-4)25-26(21)17-9-7-8-16(2)13-17/h7-11,13-15H,5-6,12H2,1-4H3,(H,24,27)
InChIKeyRLIRPLYMMAREAX-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.39
Rot. Bonds8

About N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide

N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide (PubChem CID 42662540) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
PubChem CID42662540
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccc(OC)cc2OC)nn1-c1cccc(C)c1
InChIInChI=1S/C23H27N3O3/c1-5-6-12-24-23(27)21-15-20(19-11-10-18(28-3)14-22(19)29-4)25-26(21)17-9-7-8-16(2)13-17/h7-11,13-15H,5-6,12H2,1-4H3,(H,24,27)
InChIKeyRLIRPLYMMAREAX-UHFFFAOYSA-N
XLogP4.39
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.39
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

3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 3582112
3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-N-pentylpyrazole-5-carboxamide
CID 4679519
N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3928808
1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 3310251
N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3946312
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 3541559
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4679626
1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 5028936
3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3565112
3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 3925006
3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 42758958

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide (CID 42662540) is N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide is CCCCNC(=O)c1cc(-c2ccc(OC)cc2OC)nn1-c1cccc(C)c1.
What is the InChIKey of N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is RLIRPLYMMAREAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-6-12-24-23(27)21-15-20(19-11-10-18(28-3)14-22(19)29-4)25-26(21)17-9-7-8-16(2)13-17/h7-11,13-15H,5-6,12H2,1-4H3,(H,24,27).
What are the key properties of N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42662540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).