[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

C20H19ClN4O2 — CID 54579949

IUPAC[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H19ClN4O2/c21-15-7-5-14(6-8-15)16-13-17(23-22-16)20(27)25-11-9-24(10-12-25)18-3-1-2-4-19(18)26/h1-8,13,26H,9-12H2,(H,22,23)
InChIKeyVZJITQSDNACZHM-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.40
Rot. Bonds3

About [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 54579949) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID54579949
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H19ClN4O2/c21-15-7-5-14(6-8-15)16-13-17(23-22-16)20(27)25-11-9-24(10-12-25)18-3-1-2-4-19(18)26/h1-8,13,26H,9-12H2,(H,22,23)
InChIKeyVZJITQSDNACZHM-UHFFFAOYSA-N
XLogP3.40
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (CID 54579949) is [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is VZJITQSDNACZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-15-7-5-14(6-8-15)16-13-17(23-22-16)20(27)25-11-9-24(10-12-25)18-3-1-2-4-19(18)26/h1-8,13,26H,9-12H2,(H,22,23).
What are the key properties of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 382.85 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 54579949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).