(4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone

C23H26N4O2 — CID 118526454

IUPAC(4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cnn(C(=O)N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)c1
InChIInChI=1S/C23H26N4O2/c1-19-15-24-27(16-19)23(28)26-12-10-25(11-13-26)17-21-8-5-9-22(14-21)29-18-20-6-3-2-4-7-20/h2-9,14-16H,10-13,17-18H2,1H3
InChIKeyOEAPYLHYCVQUHG-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.56
Rot. Bonds5

About (4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone

(4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 118526454) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID118526454
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cnn(C(=O)N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)c1
InChIInChI=1S/C23H26N4O2/c1-19-15-24-27(16-19)23(28)26-12-10-25(11-13-26)17-21-8-5-9-22(14-21)29-18-20-6-3-2-4-7-20/h2-9,14-16H,10-13,17-18H2,1H3
InChIKeyOEAPYLHYCVQUHG-UHFFFAOYSA-N
XLogP3.56
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 118526454) is (4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone is Cc1cnn(C(=O)N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)c1.
What is the InChIKey of (4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is OEAPYLHYCVQUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-19-15-24-27(16-19)23(28)26-12-10-25(11-13-26)17-21-8-5-9-22(14-21)29-18-20-6-3-2-4-7-20/h2-9,14-16H,10-13,17-18H2,1H3.
What are the key properties of (4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone?
(4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 118526454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).