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

C20H16F3N5O2S2 — CID 3411089

IUPACN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1C(N)=O
InChIInChI=1S/C20H16F3N5O2S2/c1-3-10-9(2)32-19(16(10)17(24)29)26-18(30)12-8-15-25-11(13-5-4-6-31-13)7-14(20(21,22)23)28(15)27-12/h4-8H,3H2,1-2H3,(H2,24,29)(H,26,30)
InChIKeySTDFIWQQKNCNEM-UHFFFAOYSA-N
MW479.51 g/mol
LogP4.76
Rot. Bonds5

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

N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3411089) has the molecular formula C20H16F3N5O2S2 and a molecular weight of 479.51 g/mol. Its IUPAC name is N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3411089
Molecular FormulaC20H16F3N5O2S2
Molecular Weight479.51 g/mol
Exact Mass479.07
IUPAC NameN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1C(N)=O
InChIInChI=1S/C20H16F3N5O2S2/c1-3-10-9(2)32-19(16(10)17(24)29)26-18(30)12-8-15-25-11(13-5-4-6-31-13)7-14(20(21,22)23)28(15)27-12/h4-8H,3H2,1-2H3,(H2,24,29)(H,26,30)
InChIKeySTDFIWQQKNCNEM-UHFFFAOYSA-N
XLogP4.76
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3411089) is N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1c(C)sc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is STDFIWQQKNCNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2S2/c1-3-10-9(2)32-19(16(10)17(24)29)26-18(30)12-8-15-25-11(13-5-4-6-31-13)7-14(20(21,22)23)28(15)27-12/h4-8H,3H2,1-2H3,(H2,24,29)(H,26,30).
What are the key properties of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 479.51 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3411089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).