2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

C19H17Cl2FN4OS — CID 21071056

IUPAC2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cc(Cl)c(-c2ccc(Cl)s2)n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17Cl2FN4OS/c20-15-11-26(23-19(15)16-5-6-17(21)28-16)12-18(27)25-9-7-24(8-10-25)14-3-1-13(22)2-4-14/h1-6,11H,7-10,12H2
InChIKeyBYEYNSVNWMOFBN-UHFFFAOYSA-N
MW439.34 g/mol
LogP4.41
Rot. Bonds4

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

2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 21071056) has the molecular formula C19H17Cl2FN4OS and a molecular weight of 439.34 g/mol. Its IUPAC name is 2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID21071056
Molecular FormulaC19H17Cl2FN4OS
Molecular Weight439.34 g/mol
Exact Mass438.05
IUPAC Name2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cc(Cl)c(-c2ccc(Cl)s2)n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17Cl2FN4OS/c20-15-11-26(23-19(15)16-5-6-17(21)28-16)12-18(27)25-9-7-24(8-10-25)14-3-1-13(22)2-4-14/h1-6,11H,7-10,12H2
InChIKeyBYEYNSVNWMOFBN-UHFFFAOYSA-N
XLogP4.41
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 21071056) is 2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is O=C(Cn1cc(Cl)c(-c2ccc(Cl)s2)n1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is BYEYNSVNWMOFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN4OS/c20-15-11-26(23-19(15)16-5-6-17(21)28-16)12-18(27)25-9-7-24(8-10-25)14-3-1-13(22)2-4-14/h1-6,11H,7-10,12H2.
What are the key properties of 2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 439.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 21071056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).