3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide

C24H23N3O3S — CID 71809940

IUPAC3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCc3ccccc3-c3ccsc3)n(C)n2)c1
InChIInChI=1S/C24H23N3O3S/c1-27-22(13-21(26-27)20-12-18(29-2)8-9-23(20)30-3)24(28)25-14-16-6-4-5-7-19(16)17-10-11-31-15-17/h4-13,15H,14H2,1-3H3,(H,25,28)
InChIKeyLBLGJTXAOROITJ-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.76
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide (PubChem CID 71809940) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide
PubChem CID71809940
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCc3ccccc3-c3ccsc3)n(C)n2)c1
InChIInChI=1S/C24H23N3O3S/c1-27-22(13-21(26-27)20-12-18(29-2)8-9-23(20)30-3)24(28)25-14-16-6-4-5-7-19(16)17-10-11-31-15-17/h4-13,15H,14H2,1-3H3,(H,25,28)
InChIKeyLBLGJTXAOROITJ-UHFFFAOYSA-N
XLogP4.76
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90597025
3-(2,5-dimethoxyphenyl)-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-1-methylpyrazole-5-carboxamide
CID 99981286
3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596857
3-(2,5-dimethoxyphenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 121122834
N-(1H-benzimidazol-2-ylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083943
3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide
CID 121165342
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 121083972
6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 71809971
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121137872
N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083958
3-(2,5-dimethoxyphenyl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121120921
3-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121084117

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide (CID 71809940) is 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)NCc3ccccc3-c3ccsc3)n(C)n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is LBLGJTXAOROITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-27-22(13-21(26-27)20-12-18(29-2)8-9-23(20)30-3)24(28)25-14-16-6-4-5-7-19(16)17-10-11-31-15-17/h4-13,15H,14H2,1-3H3,(H,25,28).
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71809940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).