[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone

C14H15ClN4O — CID 119400503

IUPAC[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCNCC1
InChIInChI=1S/C14H15ClN4O/c15-11-3-1-10(2-4-11)12-9-13(18-17-12)14(20)19-7-5-16-6-8-19/h1-4,9,16H,5-8H2,(H,17,18)
InChIKeyXEKAYVVAOUTVLS-UHFFFAOYSA-N
MW290.75 g/mol
LogP1.78
Rot. Bonds2

About [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone

[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone (PubChem CID 119400503) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone
PubChem CID119400503
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCNCC1
InChIInChI=1S/C14H15ClN4O/c15-11-3-1-10(2-4-11)12-9-13(18-17-12)14(20)19-7-5-16-6-8-19/h1-4,9,16H,5-8H2,(H,17,18)
InChIKeyXEKAYVVAOUTVLS-UHFFFAOYSA-N
XLogP1.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone (CID 119400503) is [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone is O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCNCC1.
What is the InChIKey of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone?
The InChIKey is XEKAYVVAOUTVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-11-3-1-10(2-4-11)12-9-13(18-17-12)14(20)19-7-5-16-6-8-19/h1-4,9,16H,5-8H2,(H,17,18).
What are the key properties of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone?
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone has a molecular weight of 290.75 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119400503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).