(4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

C19H20F3N5OS — CID 46955711

IUPAC(4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCCC1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H20F3N5OS/c1-10(2)12-7-15(19(20,21)22)27-16(24-12)8-13(25-27)14-5-4-6-26(14)18(28)17-11(3)23-9-29-17/h7-10,14H,4-6H2,1-3H3
InChIKeyWJQOBDNUEXGRQM-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.61
Rot. Bonds3

About (4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 46955711) has the molecular formula C19H20F3N5OS and a molecular weight of 423.46 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID46955711
Molecular FormulaC19H20F3N5OS
Molecular Weight423.46 g/mol
Exact Mass423.13
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCCC1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H20F3N5OS/c1-10(2)12-7-15(19(20,21)22)27-16(24-12)8-13(25-27)14-5-4-6-26(14)18(28)17-11(3)23-9-29-17/h7-10,14H,4-6H2,1-3H3
InChIKeyWJQOBDNUEXGRQM-UHFFFAOYSA-N
XLogP4.61
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone (CID 46955711) is (4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone is Cc1ncsc1C(=O)N1CCCC1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is WJQOBDNUEXGRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5OS/c1-10(2)12-7-15(19(20,21)22)27-16(24-12)8-13(25-27)14-5-4-6-26(14)18(28)17-11(3)23-9-29-17/h7-10,14H,4-6H2,1-3H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 423.46 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 46955711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).