(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone

C23H26N4O2 — CID 157018471

IUPAC(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCN(C(COc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c1-25-21(12-13-24-25)23(28)27-16-14-26(15-17-27)22(19-8-4-2-5-9-19)18-29-20-10-6-3-7-11-20/h2-13,22H,14-18H2,1H3
InChIKeyNPIYBAMTLWHKQL-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.00
Rot. Bonds6

About (2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone

(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone (PubChem CID 157018471) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
PubChem CID157018471
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCN(C(COc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c1-25-21(12-13-24-25)23(28)27-16-14-26(15-17-27)22(19-8-4-2-5-9-19)18-29-20-10-6-3-7-11-20/h2-13,22H,14-18H2,1H3
InChIKeyNPIYBAMTLWHKQL-UHFFFAOYSA-N
XLogP3.00
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014538
(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157013036
1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
CID 21228853
[1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014799
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
[4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91938721
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
CID 157016143
3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one
CID 157011519
[3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157015324
[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124535818
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 63341292

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone (CID 157018471) is (2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone is Cn1nccc1C(=O)N1CCN(C(COc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is NPIYBAMTLWHKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-25-21(12-13-24-25)23(28)27-16-14-26(15-17-27)22(19-8-4-2-5-9-19)18-29-20-10-6-3-7-11-20/h2-13,22H,14-18H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 157018471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).