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

C16H15F3N4O2S — CID 2975136

IUPACN-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC(C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12
InChIInChI=1S/C16H15F3N4O2S/c1-9(8-25-2)21-15(24)10-7-20-23-13(16(17,18)19)6-11(22-14(10)23)12-4-3-5-26-12/h3-7,9H,8H2,1-2H3,(H,21,24)
InChIKeyDACWIZMANHXWKZ-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.24
Rot. Bonds5

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

N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2975136) has the molecular formula C16H15F3N4O2S and a molecular weight of 384.38 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2975136
Molecular FormulaC16H15F3N4O2S
Molecular Weight384.38 g/mol
Exact Mass384.09
IUPAC NameN-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC(C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12
InChIInChI=1S/C16H15F3N4O2S/c1-9(8-25-2)21-15(24)10-7-20-23-13(16(17,18)19)6-11(22-14(10)23)12-4-3-5-26-12/h3-7,9H,8H2,1-2H3,(H,21,24)
InChIKeyDACWIZMANHXWKZ-UHFFFAOYSA-N
XLogP3.24
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2975136) is N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCC(C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12.
What is the InChIKey of N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DACWIZMANHXWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2S/c1-9(8-25-2)21-15(24)10-7-20-23-13(16(17,18)19)6-11(22-14(10)23)12-4-3-5-26-12/h3-7,9H,8H2,1-2H3,(H,21,24).
What are the key properties of N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 384.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2975136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).