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

C20H15F3N4O3S — CID 1372040

IUPACN-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4cccs4)nc23)cc1OC
InChIInChI=1S/C20H15F3N4O3S/c1-29-14-6-5-11(8-15(14)30-2)25-19(28)12-10-24-27-17(20(21,22)23)9-13(26-18(12)27)16-4-3-7-31-16/h3-10H,1-2H3,(H,25,28)
InChIKeyNITCRVAWMVFPFS-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.75
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1372040) has the molecular formula C20H15F3N4O3S and a molecular weight of 448.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1372040
Molecular FormulaC20H15F3N4O3S
Molecular Weight448.43 g/mol
Exact Mass448.08
IUPAC NameN-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4cccs4)nc23)cc1OC
InChIInChI=1S/C20H15F3N4O3S/c1-29-14-6-5-11(8-15(14)30-2)25-19(28)12-10-24-27-17(20(21,22)23)9-13(26-18(12)27)16-4-3-7-31-16/h3-10H,1-2H3,(H,25,28)
InChIKeyNITCRVAWMVFPFS-UHFFFAOYSA-N
XLogP4.75
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1372040) is N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4cccs4)nc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NITCRVAWMVFPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3S/c1-29-14-6-5-11(8-15(14)30-2)25-19(28)12-10-24-27-17(20(21,22)23)9-13(26-18(12)27)16-4-3-7-31-16/h3-10H,1-2H3,(H,25,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 448.43 g/mol, XLogP of 4.75, 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)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1372040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).