2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

C21H32N4O2 — CID 51635379

IUPAC2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(-c2[nH]ncc2CN2CCN(CC(C)C)[C@@H](CCO)C2)cc1
InChIInChI=1S/C21H32N4O2/c1-16(2)13-25-10-9-24(15-19(25)8-11-26)14-18-12-22-23-21(18)17-4-6-20(27-3)7-5-17/h4-7,12,16,19,26H,8-11,13-15H2,1-3H3,(H,22,23)/t19-/m0/s1
InChIKeyGMMLJRHRHJCJAU-IBGZPJMESA-N
MW372.51 g/mol
LogP2.61
Rot. Bonds8

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

2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 51635379) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID51635379
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(-c2[nH]ncc2CN2CCN(CC(C)C)[C@@H](CCO)C2)cc1
InChIInChI=1S/C21H32N4O2/c1-16(2)13-25-10-9-24(15-19(25)8-11-26)14-18-12-22-23-21(18)17-4-6-20(27-3)7-5-17/h4-7,12,16,19,26H,8-11,13-15H2,1-3H3,(H,22,23)/t19-/m0/s1
InChIKeyGMMLJRHRHJCJAU-IBGZPJMESA-N
XLogP2.61
TPSA64.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-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-[(2S)-1-cyclopentyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28810241
2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 30673490
2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45191318
2-[4-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45208361
2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 98589178
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45238451
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
(3R,4R)-4-(azepan-1-yl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-ol
CID 45241751
2-[(2R)-1-(2-methylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 98586542
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 70768891
2-[(2S)-4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51635094
2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol
CID 171780756

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (CID 51635379) is 2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is COc1ccc(-c2[nH]ncc2CN2CCN(CC(C)C)[C@@H](CCO)C2)cc1.
What is the InChIKey of 2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is GMMLJRHRHJCJAU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H32N4O2/c1-16(2)13-25-10-9-24(15-19(25)8-11-26)14-18-12-22-23-21(18)17-4-6-20(27-3)7-5-17/h4-7,12,16,19,26H,8-11,13-15H2,1-3H3,(H,22,23)/t19-/m0/s1.
What are the key properties of 2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 372.51 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 51635379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).