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

C16H10F3N5O2S — CID 1111047

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4cccs4)nc23)no1
InChIInChI=1S/C16H10F3N5O2S/c1-8-5-13(23-26-8)22-15(25)9-7-20-24-12(16(17,18)19)6-10(21-14(9)24)11-3-2-4-27-11/h2-7H,1H3,(H,22,23,25)
InChIKeyFRDCLYDLSFSCFO-UHFFFAOYSA-N
MW393.35 g/mol
LogP4.03
Rot. Bonds3

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

N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1111047) has the molecular formula C16H10F3N5O2S and a molecular weight of 393.35 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1111047
Molecular FormulaC16H10F3N5O2S
Molecular Weight393.35 g/mol
Exact Mass393.05
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4cccs4)nc23)no1
InChIInChI=1S/C16H10F3N5O2S/c1-8-5-13(23-26-8)22-15(25)9-7-20-24-12(16(17,18)19)6-10(21-14(9)24)11-3-2-4-27-11/h2-7H,1H3,(H,22,23,25)
InChIKeyFRDCLYDLSFSCFO-UHFFFAOYSA-N
XLogP4.03
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1111047) is N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4cccs4)nc23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FRDCLYDLSFSCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O2S/c1-8-5-13(23-26-8)22-15(25)9-7-20-24-12(16(17,18)19)6-10(21-14(9)24)11-3-2-4-27-11/h2-7H,1H3,(H,22,23,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 393.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1111047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).