N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide

C26H28N4O4S — CID 42725692

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2csc(-n3ncc(C(=O)N(C)CCc4ccc(OC)c(OC)c4)c3C)n2)cc1
InChIInChI=1S/C26H28N4O4S/c1-17-21(25(31)29(2)13-12-18-6-11-23(33-4)24(14-18)34-5)15-27-30(17)26-28-22(16-35-26)19-7-9-20(32-3)10-8-19/h6-11,14-16H,12-13H2,1-5H3
InChIKeyAASBWPCUPVGPQX-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.64
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide (PubChem CID 42725692) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide
PubChem CID42725692
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2csc(-n3ncc(C(=O)N(C)CCc4ccc(OC)c(OC)c4)c3C)n2)cc1
InChIInChI=1S/C26H28N4O4S/c1-17-21(25(31)29(2)13-12-18-6-11-23(33-4)24(14-18)34-5)15-27-30(17)26-28-22(16-35-26)19-7-9-20(32-3)10-8-19/h6-11,14-16H,12-13H2,1-5H3
InChIKeyAASBWPCUPVGPQX-UHFFFAOYSA-N
XLogP4.64
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 42361099
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 42785523
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42660597
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873234
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid
CID 3565861
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide
CID 26826456
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46577426
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 4191809
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42660639
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5224331
3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220682

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide (CID 42725692) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide is COc1ccc(-c2csc(-n3ncc(C(=O)N(C)CCc4ccc(OC)c(OC)c4)c3C)n2)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide?
The InChIKey is AASBWPCUPVGPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-17-21(25(31)29(2)13-12-18-6-11-23(33-4)24(14-18)34-5)15-27-30(17)26-28-22(16-35-26)19-7-9-20(32-3)10-8-19/h6-11,14-16H,12-13H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 42725692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).