[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

C14H15F3N4OS — CID 138008768

IUPAC[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCc1nc([C@H]2CCCN2C(=O)c2cc(C(F)(F)F)n(C)n2)cs1
InChIInChI=1S/C14H15F3N4OS/c1-8-18-10(7-23-8)11-4-3-5-21(11)13(22)9-6-12(14(15,16)17)20(2)19-9/h6-7,11H,3-5H2,1-2H3/t11-/m1/s1
InChIKeyPZJQIGTYYUTVBP-LLVKDONJSA-N
MW344.36 g/mol
LogP3.18
Rot. Bonds2

About [(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (PubChem CID 138008768) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is [(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
PubChem CID138008768
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCc1nc([C@H]2CCCN2C(=O)c2cc(C(F)(F)F)n(C)n2)cs1
InChIInChI=1S/C14H15F3N4OS/c1-8-18-10(7-23-8)11-4-3-5-21(11)13(22)9-6-12(14(15,16)17)20(2)19-9/h6-7,11H,3-5H2,1-2H3/t11-/m1/s1
InChIKeyPZJQIGTYYUTVBP-LLVKDONJSA-N
XLogP3.18
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of [(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (CID 138008768) is [(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is Cc1nc([C@H]2CCCN2C(=O)c2cc(C(F)(F)F)n(C)n2)cs1.
What is the InChIKey of [(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is PZJQIGTYYUTVBP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-8-18-10(7-23-8)11-4-3-5-21(11)13(22)9-6-12(14(15,16)17)20(2)19-9/h6-7,11H,3-5H2,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 344.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 138008768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).