(2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone

C20H17F3N4O — CID 75527354

IUPAC(2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1
InChIInChI=1S/C20H17F3N4O/c21-14-3-1-13(2-4-14)18-12-19(25-24-18)26-7-9-27(10-8-26)20(28)16-6-5-15(22)11-17(16)23/h1-6,11-12H,7-10H2,(H,24,25)
InChIKeyMKCCXHFGTFHOHL-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.46
Rot. Bonds3

About (2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone

(2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone (PubChem CID 75527354) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
PubChem CID75527354
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name(2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1
InChIInChI=1S/C20H17F3N4O/c21-14-3-1-13(2-4-14)18-12-19(25-24-18)26-7-9-27(10-8-26)20(28)16-6-5-15(22)11-17(16)23/h1-6,11-12H,7-10H2,(H,24,25)
InChIKeyMKCCXHFGTFHOHL-UHFFFAOYSA-N
XLogP3.46
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone (CID 75527354) is (2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone is O=C(c1ccc(F)cc1F)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1.
What is the InChIKey of (2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The InChIKey is MKCCXHFGTFHOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c21-14-3-1-13(2-4-14)18-12-19(25-24-18)26-7-9-27(10-8-26)20(28)16-6-5-15(22)11-17(16)23/h1-6,11-12H,7-10H2,(H,24,25).
What are the key properties of (2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
(2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone has a molecular weight of 386.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 75527354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).