(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone

C23H26N4O2 — CID 157013036

IUPAC(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(COc3ccccc3)c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C23H26N4O2/c1-18-16-21(25-24-18)23(28)27-14-12-26(13-15-27)22(19-8-4-2-5-9-19)17-29-20-10-6-3-7-11-20/h2-11,16,22H,12-15,17H2,1H3,(H,24,25)
InChIKeyBOERGFRLEJANKS-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.30
Rot. Bonds6

About (5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone

(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone (PubChem CID 157013036) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
PubChem CID157013036
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(COc3ccccc3)c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C23H26N4O2/c1-18-16-21(25-24-18)23(28)27-14-12-26(13-15-27)22(19-8-4-2-5-9-19)17-29-20-10-6-3-7-11-20/h2-11,16,22H,12-15,17H2,1H3,(H,24,25)
InChIKeyBOERGFRLEJANKS-UHFFFAOYSA-N
XLogP3.30
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014538
(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157018471
2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
CID 157016143
[3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157015324
[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 110328575
[1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014799
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one
CID 157011519
1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
CID 21228853
[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 25287398
2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one
CID 95933968
(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20910824

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone (CID 157013036) is (5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C(COc3ccccc3)c3ccccc3)CC2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is BOERGFRLEJANKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-18-16-21(25-24-18)23(28)27-14-12-26(13-15-27)22(19-8-4-2-5-9-19)17-29-20-10-6-3-7-11-20/h2-11,16,22H,12-15,17H2,1H3,(H,24,25).
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 157013036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).