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

C20H15F3N4O2S — CID 3447599

IUPACN-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12
InChIInChI=1S/C20H15F3N4O2S/c1-29-15-6-3-2-5-12(15)10-24-19(28)13-11-25-27-17(20(21,22)23)9-14(26-18(13)27)16-7-4-8-30-16/h2-9,11H,10H2,1H3,(H,24,28)
InChIKeyAAYNLRROFMWTSG-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.42
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3447599) has the molecular formula C20H15F3N4O2S and a molecular weight of 432.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3447599
Molecular FormulaC20H15F3N4O2S
Molecular Weight432.43 g/mol
Exact Mass432.09
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12
InChIInChI=1S/C20H15F3N4O2S/c1-29-15-6-3-2-5-12(15)10-24-19(28)13-11-25-27-17(20(21,22)23)9-14(26-18(13)27)16-7-4-8-30-16/h2-9,11H,10H2,1H3,(H,24,28)
InChIKeyAAYNLRROFMWTSG-UHFFFAOYSA-N
XLogP4.42
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3447599) is N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccccc1CNC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AAYNLRROFMWTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2S/c1-29-15-6-3-2-5-12(15)10-24-19(28)13-11-25-27-17(20(21,22)23)9-14(26-18(13)27)16-7-4-8-30-16/h2-9,11H,10H2,1H3,(H,24,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 432.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3447599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).