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

C23H27N5O2 — CID 140548636

IUPACN-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCN2CCN(c3cccc(O)c3)CC2)nn1-c1ccccc1
InChIInChI=1S/C23H27N5O2/c1-18-14-19(25-28(18)20-6-3-2-4-7-20)15-23(30)24-17-26-10-12-27(13-11-26)21-8-5-9-22(29)16-21/h2-9,14,16,29H,10-13,15,17H2,1H3,(H,24,30)
InChIKeyPROYKHKGDPQXPW-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.32
Rot. Bonds6

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

N-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide (PubChem CID 140548636) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide
PubChem CID140548636
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCN2CCN(c3cccc(O)c3)CC2)nn1-c1ccccc1
InChIInChI=1S/C23H27N5O2/c1-18-14-19(25-28(18)20-6-3-2-4-7-20)15-23(30)24-17-26-10-12-27(13-11-26)21-8-5-9-22(29)16-21/h2-9,14,16,29H,10-13,15,17H2,1H3,(H,24,30)
InChIKeyPROYKHKGDPQXPW-UHFFFAOYSA-N
XLogP2.32
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide 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

N-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide
CID 140548626
6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide
CID 38447789
2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide
CID 45278849
N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 45278519
(1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112799070
4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837389
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 36845543
3-[4-(2-fluoroethyl)piperazin-1-yl]phenol
CID 11206864
6-methyl-4-oxo-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 9143796
6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one
CID 27049012
1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703395

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide?
The IUPAC name of N-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide (CID 140548636) is N-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide is Cc1cc(CC(=O)NCN2CCN(c3cccc(O)c3)CC2)nn1-c1ccccc1.
What is the InChIKey of N-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide?
The InChIKey is PROYKHKGDPQXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-18-14-19(25-28(18)20-6-3-2-4-7-20)15-23(30)24-17-26-10-12-27(13-11-26)21-8-5-9-22(29)16-21/h2-9,14,16,29H,10-13,15,17H2,1H3,(H,24,30).
What are the key properties of N-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide?
N-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 140548636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).