(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

C19H24F3N5O2 — CID 136760524

IUPAC(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCc1onc(C)c1C(=O)N1CCCC1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2
InChIInChI=1S/C19H24F3N5O2/c1-4-14-17(11(3)25-29-14)18(28)26-7-5-6-13(26)12-9-16-23-10(2)8-15(19(20,21)22)27(16)24-12/h9-10,13,15,23H,4-8H2,1-3H3/t10-,13?,15-/m1/s1
InChIKeyFBHXUYZMJLEUDD-CCWWQKHMSA-N
MW411.43 g/mol
LogP4.03
Rot. Bonds3

About (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 136760524) has the molecular formula C19H24F3N5O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID136760524
Molecular FormulaC19H24F3N5O2
Molecular Weight411.43 g/mol
Exact Mass411.19
IUPAC Name(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCc1onc(C)c1C(=O)N1CCCC1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2
InChIInChI=1S/C19H24F3N5O2/c1-4-14-17(11(3)25-29-14)18(28)26-7-5-6-13(26)12-9-16-23-10(2)8-15(19(20,21)22)27(16)24-12/h9-10,13,15,23H,4-8H2,1-3H3/t10-,13?,15-/m1/s1
InChIKeyFBHXUYZMJLEUDD-CCWWQKHMSA-N
XLogP4.03
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-ethyl-1,2-oxazol-3-yl)-[(2R)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136735047
1-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 136850918
(2R)-2-(5-methylpyrazol-1-yl)-1-[(2R)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 136763394
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136734871
[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 136761169
cyclopropyl-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136760487
[(2S)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 136734873
2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 171670752
[(2R)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 136820989
1-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 136760485
[(2R)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 136892558
1-[(2R)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone
CID 136892514

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone (CID 136760524) is (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone is CCc1onc(C)c1C(=O)N1CCCC1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2.
What is the InChIKey of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is FBHXUYZMJLEUDD-CCWWQKHMSA-N. The full InChI is InChI=1S/C19H24F3N5O2/c1-4-14-17(11(3)25-29-14)18(28)26-7-5-6-13(26)12-9-16-23-10(2)8-15(19(20,21)22)27(16)24-12/h9-10,13,15,23H,4-8H2,1-3H3/t10-,13?,15-/m1/s1.
What are the key properties of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 411.43 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 136760524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).