N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

C23H23N5O4S — CID 42189410

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCc2ccc(OC)c(OC)c2)cnn1-c1nccc(-c2cccs2)n1
InChIInChI=1S/C23H23N5O4S/c1-30-14-18-16(22(29)25-12-15-6-7-19(31-2)20(11-15)32-3)13-26-28(18)23-24-9-8-17(27-23)21-5-4-10-33-21/h4-11,13H,12,14H2,1-3H3,(H,25,29)
InChIKeyJAOFGECPLQDJJT-UHFFFAOYSA-N
MW465.54 g/mol
LogP3.48
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 42189410) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID42189410
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCc2ccc(OC)c(OC)c2)cnn1-c1nccc(-c2cccs2)n1
InChIInChI=1S/C23H23N5O4S/c1-30-14-18-16(22(29)25-12-15-6-7-19(31-2)20(11-15)32-3)13-26-28(18)23-24-9-8-17(27-23)21-5-4-10-33-21/h4-11,13H,12,14H2,1-3H3,(H,25,29)
InChIKeyJAOFGECPLQDJJT-UHFFFAOYSA-N
XLogP3.48
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 125169936
[5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(3-methylpiperidin-1-yl)methanone
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N-(furan-2-ylmethyl)-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
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N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]acetamide
CID 1472250
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CID 71824137
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CID 42417526
ethyl 3-[[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]propanoate
CID 26337146
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 118756483
5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42472788
1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide
CID 67391314

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 42189410) is N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is COCc1c(C(=O)NCc2ccc(OC)c(OC)c2)cnn1-c1nccc(-c2cccs2)n1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is JAOFGECPLQDJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-30-14-18-16(22(29)25-12-15-6-7-19(31-2)20(11-15)32-3)13-26-28(18)23-24-9-8-17(27-23)21-5-4-10-33-21/h4-11,13H,12,14H2,1-3H3,(H,25,29).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 42189410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).