2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol

C26H34N4O — CID 45172721

IUPAC2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCn1cc(CN2CCN(CCCc3ccccc3)C(CCO)C2)c(-c2ccccc2)n1
InChIInChI=1S/C26H34N4O/c1-28-19-24(26(27-28)23-12-6-3-7-13-23)20-29-16-17-30(25(21-29)14-18-31)15-8-11-22-9-4-2-5-10-22/h2-7,9-10,12-13,19,25,31H,8,11,14-18,20-21H2,1H3
InChIKeyUQECSUXYMZJBMK-UHFFFAOYSA-N
MW418.59 g/mol
LogP3.59
Rot. Bonds9

About 2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol

2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 45172721) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID45172721
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCn1cc(CN2CCN(CCCc3ccccc3)C(CCO)C2)c(-c2ccccc2)n1
InChIInChI=1S/C26H34N4O/c1-28-19-24(26(27-28)23-12-6-3-7-13-23)20-29-16-17-30(25(21-29)14-18-31)15-8-11-22-9-4-2-5-10-22/h2-7,9-10,12-13,19,25,31H,8,11,14-18,20-21H2,1H3
InChIKeyUQECSUXYMZJBMK-UHFFFAOYSA-N
XLogP3.59
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 23723691
4-chloro-2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol
CID 45219951
2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol
CID 51723076
2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 56707189
2-[1-(3-phenylpropyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45211000
2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29212312
2-[4-[(4-ethynylphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23723883
2-[4-[(5-methylfuran-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45193506
2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 51901852
2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29208638
2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45243889
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45192797

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 45172721) is 2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is Cn1cc(CN2CCN(CCCc3ccccc3)C(CCO)C2)c(-c2ccccc2)n1.
What is the InChIKey of 2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is UQECSUXYMZJBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-28-19-24(26(27-28)23-12-6-3-7-13-23)20-29-16-17-30(25(21-29)14-18-31)15-8-11-22-9-4-2-5-10-22/h2-7,9-10,12-13,19,25,31H,8,11,14-18,20-21H2,1H3.
What are the key properties of 2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 418.59 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45172721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).