[3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone

C19H19F3N6O — CID 110238559

IUPAC[3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
SMILESCC(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4cncnc4)C3)cc2n1
InChIInChI=1S/C19H19F3N6O/c1-11(2)14-5-16(19(20,21)22)28-17(25-14)6-15(26-28)12-3-4-27(9-12)18(29)13-7-23-10-24-8-13/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyBLFTZPQTUSPRHR-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.29
Rot. Bonds3

About [3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone

[3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 110238559) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is [3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID110238559
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name[3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
SMILESCC(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4cncnc4)C3)cc2n1
InChIInChI=1S/C19H19F3N6O/c1-11(2)14-5-16(19(20,21)22)28-17(25-14)6-15(26-28)12-3-4-27(9-12)18(29)13-7-23-10-24-8-13/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyBLFTZPQTUSPRHR-UHFFFAOYSA-N
XLogP3.29
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110238477
2-(4-methylpiperazin-1-yl)-1-[(3S)-3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92580998
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[(3S)-3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92579203
2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 92563417
2-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110238446
(6-methyl-3-pyridinyl)-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92558857
(5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 92580950
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2S)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92597695
1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110243486
[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 46951323
(5-methoxy-1H-indol-3-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110243504
[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92553430

Frequently Asked Questions

What is the IUPAC name of [3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone (CID 110238559) is [3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone is CC(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4cncnc4)C3)cc2n1.
What is the InChIKey of [3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is BLFTZPQTUSPRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-11(2)14-5-16(19(20,21)22)28-17(25-14)6-15(26-28)12-3-4-27(9-12)18(29)13-7-23-10-24-8-13/h5-8,10-12H,3-4,9H2,1-2H3.
What are the key properties of [3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
[3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 404.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 110238559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).