2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone

C16H16ClFN4O2 — CID 24811298

IUPAC2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCN(C(=O)c2[nH]ncc2Cl)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN4O2/c17-13-9-19-20-15(13)16(24)22-7-5-21(6-8-22)10-14(23)11-1-3-12(18)4-2-11/h1-4,9H,5-8,10H2,(H,19,20)
InChIKeyFCJTZKPTETVWTI-UHFFFAOYSA-N
MW350.78 g/mol
LogP1.84
Rot. Bonds4

About 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone

2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 24811298) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
PubChem CID24811298
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC Name2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCN(C(=O)c2[nH]ncc2Cl)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN4O2/c17-13-9-19-20-15(13)16(24)22-7-5-21(6-8-22)10-14(23)11-1-3-12(18)4-2-11/h1-4,9H,5-8,10H2,(H,19,20)
InChIKeyFCJTZKPTETVWTI-UHFFFAOYSA-N
XLogP1.84
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (CID 24811298) is 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is O=C(CN1CCN(C(=O)c2[nH]ncc2Cl)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is FCJTZKPTETVWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c17-13-9-19-20-15(13)16(24)22-7-5-21(6-8-22)10-14(23)11-1-3-12(18)4-2-11/h1-4,9H,5-8,10H2,(H,19,20).
What are the key properties of 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 350.78 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 24811298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).