(3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone

C18H24N4O2 — CID 71978474

IUPAC(3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone
SMILESCn1cc(CCCN2CCN(C(=O)c3cccc(O)c3)CC2)cn1
InChIInChI=1S/C18H24N4O2/c1-20-14-15(13-19-20)4-3-7-21-8-10-22(11-9-21)18(24)16-5-2-6-17(23)12-16/h2,5-6,12-14,23H,3-4,7-11H2,1H3
InChIKeyNPWBEAYQRJBLCN-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.52
Rot. Bonds5

About (3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone

(3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone (PubChem CID 71978474) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone
PubChem CID71978474
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone
SMILESCn1cc(CCCN2CCN(C(=O)c3cccc(O)c3)CC2)cn1
InChIInChI=1S/C18H24N4O2/c1-20-14-15(13-19-20)4-3-7-21-8-10-22(11-9-21)18(24)16-5-2-6-17(23)12-16/h2,5-6,12-14,23H,3-4,7-11H2,1H3
InChIKeyNPWBEAYQRJBLCN-UHFFFAOYSA-N
XLogP1.52
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone (CID 71978474) is (3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone is Cn1cc(CCCN2CCN(C(=O)c3cccc(O)c3)CC2)cn1.
What is the InChIKey of (3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone?
The InChIKey is NPWBEAYQRJBLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-20-14-15(13-19-20)4-3-7-21-8-10-22(11-9-21)18(24)16-5-2-6-17(23)12-16/h2,5-6,12-14,23H,3-4,7-11H2,1H3.
What are the key properties of (3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone?
(3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[4-[3-(1-methylpyrazol-4-yl)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71978474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).