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

C16H19F3N4O2 — CID 92731723

IUPAC[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc([C@H]2CCCN2C(=O)c2cc(C(F)(F)F)nn2C)no1
InChIInChI=1S/C16H19F3N4O2/c1-9(2)13-7-10(21-25-13)11-5-4-6-23(11)15(24)12-8-14(16(17,18)19)20-22(12)3/h7-9,11H,4-6H2,1-3H3/t11-/m1/s1
InChIKeyNLRBSAJHSZXYQQ-LLVKDONJSA-N
MW356.35 g/mol
LogP3.53
Rot. Bonds3

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

[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 92731723) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID92731723
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC Name[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc([C@H]2CCCN2C(=O)c2cc(C(F)(F)F)nn2C)no1
InChIInChI=1S/C16H19F3N4O2/c1-9(2)13-7-10(21-25-13)11-5-4-6-23(11)15(24)12-8-14(16(17,18)19)20-22(12)3/h7-9,11H,4-6H2,1-3H3/t11-/m1/s1
InChIKeyNLRBSAJHSZXYQQ-LLVKDONJSA-N
XLogP3.53
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 92731723) is [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(C(F)(F)F)nn2C)no1.
What is the InChIKey of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NLRBSAJHSZXYQQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-9(2)13-7-10(21-25-13)11-5-4-6-23(11)15(24)12-8-14(16(17,18)19)20-22(12)3/h7-9,11H,4-6H2,1-3H3/t11-/m1/s1.
What are the key properties of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 356.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92731723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).