N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

C20H23N3OS — CID 42762073

IUPACN-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3cccs3)cc2C(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C20H23N3OS/c1-13-8-9-16(14(2)11-13)23-17(19(24)21-20(3,4)5)12-15(22-23)18-7-6-10-25-18/h6-12H,1-5H3,(H,21,24)
InChIKeyGFVTXYVOTSUNDX-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.75
Rot. Bonds3

About N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 42762073) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID42762073
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3cccs3)cc2C(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C20H23N3OS/c1-13-8-9-16(14(2)11-13)23-17(19(24)21-20(3,4)5)12-15(22-23)18-7-6-10-25-18/h6-12H,1-5H3,(H,21,24)
InChIKeyGFVTXYVOTSUNDX-UHFFFAOYSA-N
XLogP4.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812752
1-(2,4-dimethylphenyl)-N-ethoxy-3-thiophen-2-ylpyrazole-5-carboxamide
CID 5244242
1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762072
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 5031868
N-tert-butyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3881945
N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide
CID 4303586
N-tert-butyl-1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762329
1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267654
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267659
1-(4-methylphenyl)-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812787
(2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 42761915
N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762105

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 42762073) is N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3cccs3)cc2C(=O)NC(C)(C)C)c(C)c1.
What is the InChIKey of N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is GFVTXYVOTSUNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-13-8-9-16(14(2)11-13)23-17(19(24)21-20(3,4)5)12-15(22-23)18-7-6-10-25-18/h6-12H,1-5H3,(H,21,24).
What are the key properties of N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42762073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).