(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

C19H25F3N6O — CID 136763394

IUPAC(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
SMILESCc1ccnn1[C@H](C)C(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2
InChIInChI=1S/C19H25F3N6O/c1-11-9-16(19(20,21)22)28-17(24-11)10-14(25-28)15-5-4-8-26(15)18(29)13(3)27-12(2)6-7-23-27/h6-7,10-11,13,15-16,24H,4-5,8-9H2,1-3H3/t11-,13-,15-,16-/m1/s1
InChIKeyAQWHVWICGYDGBB-UIBBOPPKSA-N
MW410.44 g/mol
LogP3.62
Rot. Bonds3

About (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

(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 (PubChem CID 136763394) has the molecular formula C19H25F3N6O and a molecular weight of 410.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID136763394
Molecular FormulaC19H25F3N6O
Molecular Weight410.44 g/mol
Exact Mass410.20
IUPAC Name(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
SMILESCc1ccnn1[C@H](C)C(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2
InChIInChI=1S/C19H25F3N6O/c1-11-9-16(19(20,21)22)28-17(24-11)10-14(25-28)15-5-4-8-26(15)18(29)13(3)27-12(2)6-7-23-27/h6-7,10-11,13,15-16,24H,4-5,8-9H2,1-3H3/t11-,13-,15-,16-/m1/s1
InChIKeyAQWHVWICGYDGBB-UIBBOPPKSA-N
XLogP3.62
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

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
(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
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
[(2S)-oxolan-2-yl]-[(2R)-2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 136891340
[(2R)-2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 136886451
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
[3-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 136761355
(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-methylpyrazol-4-yl)-[(2S)-2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 136891349
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
1-[(2S)-2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 136891343
(5R,7R)-5-methyl-2-[(2R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136850945

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccnn1[C@H](C)C(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2.
What is the InChIKey of (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?
The InChIKey is AQWHVWICGYDGBB-UIBBOPPKSA-N. The full InChI is InChI=1S/C19H25F3N6O/c1-11-9-16(19(20,21)22)28-17(24-11)10-14(25-28)15-5-4-8-26(15)18(29)13(3)27-12(2)6-7-23-27/h6-7,10-11,13,15-16,24H,4-5,8-9H2,1-3H3/t11-,13-,15-,16-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 410.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 136763394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).