N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C19H22F3N5OS — CID 87396252

IUPACN-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCCC(CC)c1nc(C)cc2c(-c3sc(NC(C)=O)nc3C(F)(F)F)c(C)nn12
InChIInChI=1S/C19H22F3N5OS/c1-6-12(7-2)17-23-9(3)8-13-14(10(4)26-27(13)17)15-16(19(20,21)22)25-18(29-15)24-11(5)28/h8,12H,6-7H2,1-5H3,(H,24,25,28)
InChIKeyUYKSRIXVTJEYRC-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.35
Rot. Bonds5

About N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 87396252) has the molecular formula C19H22F3N5OS and a molecular weight of 425.48 g/mol. Its IUPAC name is N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID87396252
Molecular FormulaC19H22F3N5OS
Molecular Weight425.48 g/mol
Exact Mass425.15
IUPAC NameN-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCCC(CC)c1nc(C)cc2c(-c3sc(NC(C)=O)nc3C(F)(F)F)c(C)nn12
InChIInChI=1S/C19H22F3N5OS/c1-6-12(7-2)17-23-9(3)8-13-14(10(4)26-27(13)17)15-16(19(20,21)22)25-18(29-15)24-11(5)28/h8,12H,6-7H2,1-5H3,(H,24,25,28)
InChIKeyUYKSRIXVTJEYRC-UHFFFAOYSA-N
XLogP5.35
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 87396252) is N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is CCC(CC)c1nc(C)cc2c(-c3sc(NC(C)=O)nc3C(F)(F)F)c(C)nn12.
What is the InChIKey of N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UYKSRIXVTJEYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5OS/c1-6-12(7-2)17-23-9(3)8-13-14(10(4)26-27(13)17)15-16(19(20,21)22)25-18(29-15)24-11(5)28/h8,12H,6-7H2,1-5H3,(H,24,25,28).
What are the key properties of N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 425.48 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87396252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).