2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

C20H30N4O — CID 51901854

IUPAC2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCc1ccc(-n2cccn2)c(CN2CCN(C(C)C)[C@H](CCO)C2)c1
InChIInChI=1S/C20H30N4O/c1-16(2)23-11-10-22(15-19(23)7-12-25)14-18-13-17(3)5-6-20(18)24-9-4-8-21-24/h4-6,8-9,13,16,19,25H,7,10-12,14-15H2,1-3H3/t19-/m1/s1
InChIKeyNTDSUZKFKQXKJH-LJQANCHMSA-N
MW342.49 g/mol
LogP2.46
Rot. Bonds6

About 2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 51901854) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID51901854
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCc1ccc(-n2cccn2)c(CN2CCN(C(C)C)[C@H](CCO)C2)c1
InChIInChI=1S/C20H30N4O/c1-16(2)23-11-10-22(15-19(23)7-12-25)14-18-13-17(3)5-6-20(18)24-9-4-8-21-24/h4-6,8-9,13,16,19,25H,7,10-12,14-15H2,1-3H3/t19-/m1/s1
InChIKeyNTDSUZKFKQXKJH-LJQANCHMSA-N
XLogP2.46
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
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CID 45197047
2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 45179635
2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
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4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
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CID 30727209
4-[4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (CID 51901854) is 2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is Cc1ccc(-n2cccn2)c(CN2CCN(C(C)C)[C@H](CCO)C2)c1.
What is the InChIKey of 2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is NTDSUZKFKQXKJH-LJQANCHMSA-N. The full InChI is InChI=1S/C20H30N4O/c1-16(2)23-11-10-22(15-19(23)7-12-25)14-18-13-17(3)5-6-20(18)24-9-4-8-21-24/h4-6,8-9,13,16,19,25H,7,10-12,14-15H2,1-3H3/t19-/m1/s1.
What are the key properties of 2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol has a molecular weight of 342.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 51901854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).