[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

C19H19F2N5O — CID 57393122

IUPAC[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cc2ncccn2n1)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H19F2N5O/c20-15-3-2-14(16(21)12-15)4-7-24-8-10-25(11-9-24)19(27)17-13-18-22-5-1-6-26(18)23-17/h1-3,5-6,12-13H,4,7-11H2
InChIKeyKOIKCKODGUGCHQ-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.01
Rot. Bonds4

About [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (PubChem CID 57393122) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
PubChem CID57393122
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cc2ncccn2n1)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H19F2N5O/c20-15-3-2-14(16(21)12-15)4-7-24-8-10-25(11-9-24)19(27)17-13-18-22-5-1-6-26(18)23-17/h1-3,5-6,12-13H,4,7-11H2
InChIKeyKOIKCKODGUGCHQ-UHFFFAOYSA-N
XLogP2.01
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The IUPAC name of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (CID 57393122) is [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is O=C(c1cc2ncccn2n1)N1CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The InChIKey is KOIKCKODGUGCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c20-15-3-2-14(16(21)12-15)4-7-24-8-10-25(11-9-24)19(27)17-13-18-22-5-1-6-26(18)23-17/h1-3,5-6,12-13H,4,7-11H2.
What are the key properties of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone has a molecular weight of 371.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 57393122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).