N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H21F3N6OS — CID 144734876

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)c1ccn2nc(C)c(C(=O)Nc3nc(C)c(C)s3)c2n1
InChIInChI=1S/C18H21F3N6OS/c1-5-7-26(9-18(19,20)21)13-6-8-27-15(23-13)14(11(3)25-27)16(28)24-17-22-10(2)12(4)29-17/h6,8H,5,7,9H2,1-4H3,(H,22,24,28)
InChIKeyJYQTYLWWFLPEMY-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.14
Rot. Bonds6

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 144734876) has the molecular formula C18H21F3N6OS and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID144734876
Molecular FormulaC18H21F3N6OS
Molecular Weight426.47 g/mol
Exact Mass426.14
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)c1ccn2nc(C)c(C(=O)Nc3nc(C)c(C)s3)c2n1
InChIInChI=1S/C18H21F3N6OS/c1-5-7-26(9-18(19,20)21)13-6-8-27-15(23-13)14(11(3)25-27)16(28)24-17-22-10(2)12(4)29-17/h6,8H,5,7,9H2,1-4H3,(H,22,24,28)
InChIKeyJYQTYLWWFLPEMY-UHFFFAOYSA-N
XLogP4.14
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 144734876) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCN(CC(F)(F)F)c1ccn2nc(C)c(C(=O)Nc3nc(C)c(C)s3)c2n1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JYQTYLWWFLPEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6OS/c1-5-7-26(9-18(19,20)21)13-6-8-27-15(23-13)14(11(3)25-27)16(28)24-17-22-10(2)12(4)29-17/h6,8H,5,7,9H2,1-4H3,(H,22,24,28).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144734876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).