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

C20H15F3N4O2S — CID 1101958

IUPACN-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C20H15F3N4O2S/c1-29-13-6-4-12(5-7-13)11-24-19(28)15-10-18-25-14(16-3-2-8-30-16)9-17(20(21,22)23)27(18)26-15/h2-10H,11H2,1H3,(H,24,28)
InChIKeyAARUNXNNAZIAQK-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.42
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1101958) has the molecular formula C20H15F3N4O2S and a molecular weight of 432.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1101958
Molecular FormulaC20H15F3N4O2S
Molecular Weight432.43 g/mol
Exact Mass432.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C20H15F3N4O2S/c1-29-13-6-4-12(5-7-13)11-24-19(28)15-10-18-25-14(16-3-2-8-30-16)9-17(20(21,22)23)27(18)26-15/h2-10H,11H2,1H3,(H,24,28)
InChIKeyAARUNXNNAZIAQK-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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1101958) is N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(CNC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AARUNXNNAZIAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2S/c1-29-13-6-4-12(5-7-13)11-24-19(28)15-10-18-25-14(16-3-2-8-30-16)9-17(20(21,22)23)27(18)26-15/h2-10H,11H2,1H3,(H,24,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-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-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1101958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).