1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide

C21H19N3O2S — CID 42762072

IUPAC1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3cccs3)cc2C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C21H19N3O2S/c1-14-7-8-18(15(2)11-14)24-19(12-17(23-24)20-6-4-10-27-20)21(25)22-13-16-5-3-9-26-16/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyIODLOCTYUBQDNJ-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.74
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide

1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 42762072) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID42762072
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3cccs3)cc2C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C21H19N3O2S/c1-14-7-8-18(15(2)11-14)24-19(12-17(23-24)20-6-4-10-27-20)21(25)22-13-16-5-3-9-26-16/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyIODLOCTYUBQDNJ-UHFFFAOYSA-N
XLogP4.74
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762090
N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762073
1-(2,4-dimethylphenyl)-N-ethoxy-3-thiophen-2-ylpyrazole-5-carboxamide
CID 5244242
N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812752
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 5031868
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 1053825
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 1053837
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 4596269
N-(furan-2-ylmethyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19591229
1-(4-methylphenyl)-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812787
N-butyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514814
N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762105

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 42762072) is 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3cccs3)cc2C(=O)NCc2ccco2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is IODLOCTYUBQDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-14-7-8-18(15(2)11-14)24-19(12-17(23-24)20-6-4-10-27-20)21(25)22-13-16-5-3-9-26-16/h3-12H,13H2,1-2H3,(H,22,25).
What are the key properties of 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42762072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).