N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

C19H21N3O2S — CID 4212404

IUPACN-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCCCNC(=O)c1cc(-c2cccs2)nn1-c1ccc(OC)cc1
InChIInChI=1S/C19H21N3O2S/c1-3-4-11-20-19(23)17-13-16(18-6-5-12-25-18)21-22(17)14-7-9-15(24-2)10-8-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,23)
InChIKeyUIUKYEMUPIGOIT-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.14
Rot. Bonds7

About N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 4212404) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID4212404
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCCCNC(=O)c1cc(-c2cccs2)nn1-c1ccc(OC)cc1
InChIInChI=1S/C19H21N3O2S/c1-3-4-11-20-19(23)17-13-16(18-6-5-12-25-18)21-22(17)14-7-9-15(24-2)10-8-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,23)
InChIKeyUIUKYEMUPIGOIT-UHFFFAOYSA-N
XLogP4.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.14
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

N-butyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514814
2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7250102
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
1-(3,4-dichlorophenyl)-N-hexyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4537760
1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxylate
CID 6946083
N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964
N-hexyl-1-(3-nitrophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3650127
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761828
1-(4-chlorophenyl)-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3468466
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4541303
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide
CID 42759384
N-(2,2-diethoxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4787832

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 4212404) is N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is CCCCNC(=O)c1cc(-c2cccs2)nn1-c1ccc(OC)cc1.
What is the InChIKey of N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is UIUKYEMUPIGOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-3-4-11-20-19(23)17-13-16(18-6-5-12-25-18)21-22(17)14-7-9-15(24-2)10-8-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,23).
What are the key properties of N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 4212404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).