2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol

C17H24N4O — CID 110882554

IUPAC2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol
SMILESCc1ccc(-c2[nH]ncc2CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C17H24N4O/c1-14-2-4-15(5-3-14)17-16(12-18-19-17)13-21-8-6-20(7-9-21)10-11-22/h2-5,12,22H,6-11,13H2,1H3,(H,18,19)
InChIKeyRBERHYXFZFXSIA-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.50
Rot. Bonds5

About 2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol

2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 110882554) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol
PubChem CID110882554
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol
SMILESCc1ccc(-c2[nH]ncc2CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C17H24N4O/c1-14-2-4-15(5-3-14)17-16(12-18-19-17)13-21-8-6-20(7-9-21)10-11-22/h2-5,12,22H,6-11,13H2,1H3,(H,18,19)
InChIKeyRBERHYXFZFXSIA-UHFFFAOYSA-N
XLogP1.50
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol 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-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol
CID 126799650
2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 98589178
1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine
CID 99945758
2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol
CID 171780756
1-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 74229930
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 5167963
2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 75496879
(1S,5R)-3-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,9-diazabicyclo[3.3.2]decan-10-one
CID 77089415
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine
CID 78881517
ethyl 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine-1-carboxylate
CID 25285258
2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 30673490

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol (CID 110882554) is 2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol is Cc1ccc(-c2[nH]ncc2CN2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is RBERHYXFZFXSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14-2-4-15(5-3-14)17-16(12-18-19-17)13-21-8-6-20(7-9-21)10-11-22/h2-5,12,22H,6-11,13H2,1H3,(H,18,19).
What are the key properties of 2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 300.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 110882554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).