[1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

C17H21ClN4O2 — CID 56779924

IUPAC[1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C17H21ClN4O2/c1-13(23)12-20-7-9-21(10-8-20)17(24)16-5-6-22(19-16)15-4-2-3-14(18)11-15/h2-6,11,13,23H,7-10,12H2,1H3
InChIKeyHKAYKFXKRBVZIH-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.66
Rot. Bonds4

About [1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

[1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 56779924) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is [1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID56779924
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name[1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C17H21ClN4O2/c1-13(23)12-20-7-9-21(10-8-20)17(24)16-5-6-22(19-16)15-4-2-3-14(18)11-15/h2-6,11,13,23H,7-10,12H2,1H3
InChIKeyHKAYKFXKRBVZIH-UHFFFAOYSA-N
XLogP1.66
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (CID 56779924) is [1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is CC(O)CN1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is HKAYKFXKRBVZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-13(23)12-20-7-9-21(10-8-20)17(24)16-5-6-22(19-16)15-4-2-3-14(18)11-15/h2-6,11,13,23H,7-10,12H2,1H3.
What are the key properties of [1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
[1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 348.83 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56779924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).