N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C20H18N4O3S — CID 53040477

IUPACN-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)n3nc(-c4cccs4)cc3n2)cc1OC
InChIInChI=1S/C20H18N4O3S/c1-12-9-15(20(25)21-13-6-7-16(26-2)17(10-13)27-3)22-19-11-14(23-24(12)19)18-5-4-8-28-18/h4-11H,1-3H3,(H,21,25)
InChIKeyPPCXLRFRLOOIMH-UHFFFAOYSA-N
MW394.46 g/mol
LogP4.04
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040477) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040477
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)n3nc(-c4cccs4)cc3n2)cc1OC
InChIInChI=1S/C20H18N4O3S/c1-12-9-15(20(25)21-13-6-7-16(26-2)17(10-13)27-3)22-19-11-14(23-24(12)19)18-5-4-8-28-18/h4-11H,1-3H3,(H,21,25)
InChIKeyPPCXLRFRLOOIMH-UHFFFAOYSA-N
XLogP4.04
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040480
7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040519
N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46368241
N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040500
5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 59461413
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685835
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36811606
N-(3,4-dimethoxyphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 43935558
N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090785
N-(3,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900443
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 8878746

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040477) is N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cc(C)n3nc(-c4cccs4)cc3n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is PPCXLRFRLOOIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-12-9-15(20(25)21-13-6-7-16(26-2)17(10-13)27-3)22-19-11-14(23-24(12)19)18-5-4-8-28-18/h4-11H,1-3H3,(H,21,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).