2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol

C24H31N5O2 — CID 45225906

IUPAC2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccccc1-n1cc(CN2CCN(Cc3cccc(C)n3)C(CCO)C2)cn1
InChIInChI=1S/C24H31N5O2/c1-19-6-5-7-21(26-19)17-28-12-11-27(18-22(28)10-13-30)15-20-14-25-29(16-20)23-8-3-4-9-24(23)31-2/h3-9,14,16,22,30H,10-13,15,17-18H2,1-2H3
InChIKeyJSGVBSQJMLVERR-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.65
Rot. Bonds8

About 2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol

2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45225906) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
PubChem CID45225906
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccccc1-n1cc(CN2CCN(Cc3cccc(C)n3)C(CCO)C2)cn1
InChIInChI=1S/C24H31N5O2/c1-19-6-5-7-21(26-19)17-28-12-11-27(18-22(28)10-13-30)15-20-14-25-29(16-20)23-8-3-4-9-24(23)31-2/h3-9,14,16,22,30H,10-13,15,17-18H2,1-2H3
InChIKeyJSGVBSQJMLVERR-UHFFFAOYSA-N
XLogP2.65
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[(2S)-1-cyclopentyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28925095
2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45198197
2-[1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol
CID 45221913
2-[(2R)-4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 98571195
2-ethoxy-6-[[3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenol
CID 45232523
1-[4-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone
CID 28822554
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 29025637
2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
CID 51635125
2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol
CID 98579116
2-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 98648561
2-[(2R)-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 98649064
2-[(2S)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28731718

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol (CID 45225906) is 2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol is COc1ccccc1-n1cc(CN2CCN(Cc3cccc(C)n3)C(CCO)C2)cn1.
What is the InChIKey of 2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is JSGVBSQJMLVERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-19-6-5-7-21(26-19)17-28-12-11-27(18-22(28)10-13-30)15-20-14-25-29(16-20)23-8-3-4-9-24(23)31-2/h3-9,14,16,22,30H,10-13,15,17-18H2,1-2H3.
What are the key properties of 2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol?
2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 421.55 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45225906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).