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

C17H16F3N5OS — CID 46955727

IUPAC[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCCN3C(=O)c3cscn3)cc2n1
InChIInChI=1S/C17H16F3N5OS/c1-2-10-6-14(17(18,19)20)25-15(22-10)7-11(23-25)13-4-3-5-24(13)16(26)12-8-27-9-21-12/h6-9,13H,2-5H2,1H3
InChIKeyCCUOJTAOJWZQSC-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.74
Rot. Bonds3

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

[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 46955727) has the molecular formula C17H16F3N5OS and a molecular weight of 395.41 g/mol. Its IUPAC name is [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID46955727
Molecular FormulaC17H16F3N5OS
Molecular Weight395.41 g/mol
Exact Mass395.10
IUPAC Name[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCCN3C(=O)c3cscn3)cc2n1
InChIInChI=1S/C17H16F3N5OS/c1-2-10-6-14(17(18,19)20)25-15(22-10)7-11(23-25)13-4-3-5-24(13)16(26)12-8-27-9-21-12/h6-9,13H,2-5H2,1H3
InChIKeyCCUOJTAOJWZQSC-UHFFFAOYSA-N
XLogP3.74
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-Thiazole-4-carbonyl)-4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL]piperidine
CID 16670869
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 56741061
2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 135093167
[5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone
CID 89830261
(2-amino-1,3-thiazol-4-yl)-[(3S,4R)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]methanone
CID 139482793
[(3R,4S)-4-methyl-3-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 169049570
4-[5-Ethyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidin-2-YL]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine
CID 46955678
(2,4-Dimethyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 46955706
4-{2-[5-Isopropyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidin-2-YL]pyrrolidine-1-carbonyl}-1,3-thiazole
CID 46955710
5-{2-[5-Isopropyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidin-2-YL]pyrrolidine-1-carbonyl}-4-methyl-1,3-thiazole
CID 46955711
[2-[5-Ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 46955730
5-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 72859912

Frequently Asked Questions

What is the IUPAC name of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 46955727) is [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is CCc1cc(C(F)(F)F)n2nc(C3CCCN3C(=O)c3cscn3)cc2n1.
What is the InChIKey of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is CCUOJTAOJWZQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5OS/c1-2-10-6-14(17(18,19)20)25-15(22-10)7-11(23-25)13-4-3-5-24(13)16(26)12-8-27-9-21-12/h6-9,13H,2-5H2,1H3.
What are the key properties of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 395.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 46955727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).