(1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C23H26N4O2 — CID 8892514

IUPAC(1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C23H26N4O2/c28-16-15-25-11-13-26(14-12-25)23(29)21-18-27(17-19-7-3-1-4-8-19)24-22(21)20-9-5-2-6-10-20/h1-10,18,28H,11-17H2
InChIKeyKSZRGDVMSOOAMR-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.35
Rot. Bonds6

About (1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 8892514) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID8892514
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C23H26N4O2/c28-16-15-25-11-13-26(14-12-25)23(29)21-18-27(17-19-7-3-1-4-8-19)24-22(21)20-9-5-2-6-10-20/h1-10,18,28H,11-17H2
InChIKeyKSZRGDVMSOOAMR-UHFFFAOYSA-N
XLogP2.35
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 8892514) is (1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(CCO)CC1.
What is the InChIKey of (1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is KSZRGDVMSOOAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-16-15-25-11-13-26(14-12-25)23(29)21-18-27(17-19-7-3-1-4-8-19)24-22(21)20-9-5-2-6-10-20/h1-10,18,28H,11-17H2.
What are the key properties of (1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 8892514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).