[1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C19H17ClFN5O — CID 20973783

IUPAC[1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17ClFN5O/c20-14-2-1-3-17(12-14)26-13-18(22-23-26)19(27)25-10-8-24(9-11-25)16-6-4-15(21)5-7-16/h1-7,12-13H,8-11H2
InChIKeyCHWNEAIXMWEFGC-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.02
Rot. Bonds3

About [1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 20973783) has the molecular formula C19H17ClFN5O and a molecular weight of 385.83 g/mol. Its IUPAC name is [1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID20973783
Molecular FormulaC19H17ClFN5O
Molecular Weight385.83 g/mol
Exact Mass385.11
IUPAC Name[1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17ClFN5O/c20-14-2-1-3-17(12-14)26-13-18(22-23-26)19(27)25-10-8-24(9-11-25)16-6-4-15(21)5-7-16/h1-7,12-13H,8-11H2
InChIKeyCHWNEAIXMWEFGC-UHFFFAOYSA-N
XLogP3.02
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 20973783) is [1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is CHWNEAIXMWEFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O/c20-14-2-1-3-17(12-14)26-13-18(22-23-26)19(27)25-10-8-24(9-11-25)16-6-4-15(21)5-7-16/h1-7,12-13H,8-11H2.
What are the key properties of [1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 385.83 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 20973783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).