5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H16F3N5O3S — CID 156601278

IUPAC5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4nc(C)cs4)cc3n2)cc1OC
InChIInChI=1S/C20H16F3N5O3S/c1-10-9-32-19(24-10)26-18(29)13-8-17-25-12(7-16(20(21,22)23)28(17)27-13)11-4-5-14(30-2)15(6-11)31-3/h4-9H,1-3H3,(H,24,26,29)
InChIKeyHHUKACLWCWVSDL-UHFFFAOYSA-N
MW463.44 g/mol
LogP4.45
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 156601278) has the molecular formula C20H16F3N5O3S and a molecular weight of 463.44 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID156601278
Molecular FormulaC20H16F3N5O3S
Molecular Weight463.44 g/mol
Exact Mass463.09
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4nc(C)cs4)cc3n2)cc1OC
InChIInChI=1S/C20H16F3N5O3S/c1-10-9-32-19(24-10)26-18(29)13-8-17-25-12(7-16(20(21,22)23)28(17)27-13)11-4-5-14(30-2)15(6-11)31-3/h4-9H,1-3H3,(H,24,26,29)
InChIKeyHHUKACLWCWVSDL-UHFFFAOYSA-N
XLogP4.45
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 1124532
5-(3,4-dimethoxyphenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 66810027
5-(4-methylphenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1038221
N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1370414
2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823490
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449472
2-bromo-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 118357233
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19341399
[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone
CID 26869780
5-(3,4-dichlorophenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1111316
5-(4-bromophenyl)-N-(4-chloro-2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4988110
N-[2-(difluoromethoxy)-5-methylphenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4773219

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 156601278) is 5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4nc(C)cs4)cc3n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HHUKACLWCWVSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3S/c1-10-9-32-19(24-10)26-18(29)13-8-17-25-12(7-16(20(21,22)23)28(17)27-13)11-4-5-14(30-2)15(6-11)31-3/h4-9H,1-3H3,(H,24,26,29).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 463.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 156601278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).