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

C20H17ClF2N4O — CID 75527353

IUPAC(2-chloro-4-fluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1
InChIInChI=1S/C20H17ClF2N4O/c21-17-11-15(23)5-6-16(17)20(28)27-9-7-26(8-10-27)19-12-18(24-25-19)13-1-3-14(22)4-2-13/h1-6,11-12H,7-10H2,(H,24,25)
InChIKeyGYYMHIBPSHRXOC-UHFFFAOYSA-N
MW402.83 g/mol
LogP3.97
Rot. Bonds3

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

(2-chloro-4-fluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone (PubChem CID 75527353) has the molecular formula C20H17ClF2N4O and a molecular weight of 402.83 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
PubChem CID75527353
Molecular FormulaC20H17ClF2N4O
Molecular Weight402.83 g/mol
Exact Mass402.11
IUPAC Name(2-chloro-4-fluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1
InChIInChI=1S/C20H17ClF2N4O/c21-17-11-15(23)5-6-16(17)20(28)27-9-7-26(8-10-27)19-12-18(24-25-19)13-1-3-14(22)4-2-13/h1-6,11-12H,7-10H2,(H,24,25)
InChIKeyGYYMHIBPSHRXOC-UHFFFAOYSA-N
XLogP3.97
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone (CID 75527353) is (2-chloro-4-fluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The InChIKey is GYYMHIBPSHRXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N4O/c21-17-11-15(23)5-6-16(17)20(28)27-9-7-26(8-10-27)19-12-18(24-25-19)13-1-3-14(22)4-2-13/h1-6,11-12H,7-10H2,(H,24,25).
What are the key properties of (2-chloro-4-fluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone has a molecular weight of 402.83 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 75527353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).