[5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone

C19H16Cl2FN5O — CID 141365455

IUPAC[5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(-c2cc(F)cc(Cl)c2)n(-c2cncc(Cl)c2)n1)N1CCNCC1
InChIInChI=1S/C19H16Cl2FN5O/c20-13-5-12(6-15(22)7-13)18-9-17(19(28)26-3-1-23-2-4-26)25-27(18)16-8-14(21)10-24-11-16/h5-11,23H,1-4H2
InChIKeyCHXUQGJKCDBBID-UHFFFAOYSA-N
MW420.28 g/mol
LogP3.43
Rot. Bonds3

About [5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone

[5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone (PubChem CID 141365455) has the molecular formula C19H16Cl2FN5O and a molecular weight of 420.28 g/mol. Its IUPAC name is [5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone
PubChem CID141365455
Molecular FormulaC19H16Cl2FN5O
Molecular Weight420.28 g/mol
Exact Mass419.07
IUPAC Name[5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(-c2cc(F)cc(Cl)c2)n(-c2cncc(Cl)c2)n1)N1CCNCC1
InChIInChI=1S/C19H16Cl2FN5O/c20-13-5-12(6-15(22)7-13)18-9-17(19(28)26-3-1-23-2-4-26)25-27(18)16-8-14(21)10-24-11-16/h5-11,23H,1-4H2
InChIKeyCHXUQGJKCDBBID-UHFFFAOYSA-N
XLogP3.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone (CID 141365455) is [5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone is O=C(c1cc(-c2cc(F)cc(Cl)c2)n(-c2cncc(Cl)c2)n1)N1CCNCC1.
What is the InChIKey of [5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
The InChIKey is CHXUQGJKCDBBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN5O/c20-13-5-12(6-15(22)7-13)18-9-17(19(28)26-3-1-23-2-4-26)25-27(18)16-8-14(21)10-24-11-16/h5-11,23H,1-4H2.
What are the key properties of [5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
[5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone has a molecular weight of 420.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 141365455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).