[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone

C21H19F3N4O — CID 50747064

IUPAC[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2nc(C3CC3)cc(C(F)F)n2n1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C21H19F3N4O/c22-14-4-1-3-13(9-14)17-5-2-8-27(17)21(29)16-11-19-25-15(12-6-7-12)10-18(20(23)24)28(19)26-16/h1,3-4,9-12,17,20H,2,5-8H2
InChIKeyFJHFJPAZFYGZGM-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.66
Rot. Bonds4

About [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone

[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 50747064) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID50747064
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC Name[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2nc(C3CC3)cc(C(F)F)n2n1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C21H19F3N4O/c22-14-4-1-3-13(9-14)17-5-2-8-27(17)21(29)16-11-19-25-15(12-6-7-12)10-18(20(23)24)28(19)26-16/h1,3-4,9-12,17,20H,2,5-8H2
InChIKeyFJHFJPAZFYGZGM-UHFFFAOYSA-N
XLogP4.66
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone (CID 50747064) is [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone is O=C(c1cc2nc(C3CC3)cc(C(F)F)n2n1)N1CCCC1c1cccc(F)c1.
What is the InChIKey of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is FJHFJPAZFYGZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c22-14-4-1-3-13(9-14)17-5-2-8-27(17)21(29)16-11-19-25-15(12-6-7-12)10-18(20(23)24)28(19)26-16/h1,3-4,9-12,17,20H,2,5-8H2.
What are the key properties of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 400.40 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50747064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).