N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

C23H27N5O3 — CID 2460071

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCc1c(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H27N5O3/c1-17-22(23(31)28(25(17)2)19-6-4-3-5-7-19)24-21(30)16-26-12-14-27(15-13-26)18-8-10-20(29)11-9-18/h3-11,29H,12-16H2,1-2H3,(H,24,30)
InChIKeyZFIBYOSRRUDOFA-UHFFFAOYSA-N
MW421.50 g/mol
LogP1.95
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 2460071) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID2460071
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCc1c(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H27N5O3/c1-17-22(23(31)28(25(17)2)19-6-4-3-5-7-19)24-21(30)16-26-12-14-27(15-13-26)18-8-10-20(29)11-9-18/h3-11,29H,12-16H2,1-2H3,(H,24,30)
InChIKeyZFIBYOSRRUDOFA-UHFFFAOYSA-N
XLogP1.95
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (CID 2460071) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is Cc1c(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is ZFIBYOSRRUDOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-17-22(23(31)28(25(17)2)19-6-4-3-5-7-19)24-21(30)16-26-12-14-27(15-13-26)18-8-10-20(29)11-9-18/h3-11,29H,12-16H2,1-2H3,(H,24,30).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2460071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).