(3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone

C16H18F2N4O — CID 47523782

IUPAC(3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H18F2N4O/c17-14-3-2-13(12-15(14)18)16(23)21-9-6-20(7-10-21)8-11-22-5-1-4-19-22/h1-5,12H,6-11H2
InChIKeyYACSGFMDHUFPJR-UHFFFAOYSA-N
MW320.34 g/mol
LogP1.62
Rot. Bonds4

About (3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone

(3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 47523782) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
PubChem CID47523782
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name(3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H18F2N4O/c17-14-3-2-13(12-15(14)18)16(23)21-9-6-20(7-10-21)8-11-22-5-1-4-19-22/h1-5,12H,6-11H2
InChIKeyYACSGFMDHUFPJR-UHFFFAOYSA-N
XLogP1.62
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone (CID 47523782) is (3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is YACSGFMDHUFPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c17-14-3-2-13(12-15(14)18)16(23)21-9-6-20(7-10-21)8-11-22-5-1-4-19-22/h1-5,12H,6-11H2.
What are the key properties of (3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 320.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 47523782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).