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

C19H19N3OS — CID 812752

IUPACN-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3cccs3)cc2C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C19H19N3OS/c1-12-5-8-16(13(2)10-12)22-17(19(23)20-14-6-7-14)11-15(21-22)18-4-3-9-24-18/h3-5,8-11,14H,6-7H2,1-2H3,(H,20,23)
InChIKeyQKLRSNPUCNURSH-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.11
Rot. Bonds4

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

N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 812752) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID812752
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3cccs3)cc2C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C19H19N3OS/c1-12-5-8-16(13(2)10-12)22-17(19(23)20-14-6-7-14)11-15(21-22)18-4-3-9-24-18/h3-5,8-11,14H,6-7H2,1-2H3,(H,20,23)
InChIKeyQKLRSNPUCNURSH-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762073
N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514813
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-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130
N-cyclopropyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide
CID 42759053
N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 4292029
(2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 42761915
3-[1-[1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42762080
1-(3-methylphenyl)-N-(2-oxoazepan-3-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762100
N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659167

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 812752) is N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3cccs3)cc2C(=O)NC2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is QKLRSNPUCNURSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-12-5-8-16(13(2)10-12)22-17(19(23)20-14-6-7-14)11-15(21-22)18-4-3-9-24-18/h3-5,8-11,14H,6-7H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 812752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).