2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol

C19H28N4O — CID 45209739

IUPAC2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(Cc3cc(C)[nH]n3)CC2CCO)cc1
InChIInChI=1S/C19H28N4O/c1-15-3-5-17(6-4-15)12-23-9-8-22(14-19(23)7-10-24)13-18-11-16(2)20-21-18/h3-6,11,19,24H,7-10,12-14H2,1-2H3,(H,20,21)
InChIKeyWAWPNHFZSAQYJF-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.10
Rot. Bonds6

About 2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol

2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45209739) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45209739
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(Cc3cc(C)[nH]n3)CC2CCO)cc1
InChIInChI=1S/C19H28N4O/c1-15-3-5-17(6-4-15)12-23-9-8-22(14-19(23)7-10-24)13-18-11-16(2)20-21-18/h3-6,11,19,24H,7-10,12-14H2,1-2H3,(H,20,21)
InChIKeyWAWPNHFZSAQYJF-UHFFFAOYSA-N
XLogP2.10
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tolpiprazole
CID 3084338
[3-benzyl-1-(1H-pyrazol-3-ylmethyl)piperidin-3-yl]methanol
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2-[1-(3,4-difluorobenzyl)-4-(1H-pyrazol-3-ylmethyl)piperazin-2-yl]ethanol
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1-Benzyl-4-(5-methyl-1H-pyrazol-3-yl)-piperidine
CID 10587140
2-[4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(4-methylbenzyl)-2-piperazinyl]ethanol
CID 16188712
{4-benzyl-1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl}methanol
CID 16190266
2-{1-(4-fluorobenzyl)-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-2-piperazinyl}ethanol
CID 16190340
2-[4-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16190318
{1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 16187625
2-{1-(3,4-difluorobenzyl)-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl}ethanol
CID 16188139
2-{1-benzyl-4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-2-yl}ethanol
CID 16190030

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol (CID 45209739) is 2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol is Cc1ccc(CN2CCN(Cc3cc(C)[nH]n3)CC2CCO)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is WAWPNHFZSAQYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-3-5-17(6-4-15)12-23-9-8-22(14-19(23)7-10-24)13-18-11-16(2)20-21-18/h3-6,11,19,24H,7-10,12-14H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol?
2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 328.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45209739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).