2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol

C15H28N4O — CID 45188701

IUPAC2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCCn1nc(C)c(CN2CCN(C)C(CCO)C2)c1C
InChIInChI=1S/C15H28N4O/c1-5-19-13(3)15(12(2)16-19)11-18-8-7-17(4)14(10-18)6-9-20/h14,20H,5-11H2,1-4H3
InChIKeyJEQIMUDBQHGGEB-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.02
Rot. Bonds5

About 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol

2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 45188701) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
PubChem CID45188701
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCCn1nc(C)c(CN2CCN(C)C(CCO)C2)c1C
InChIInChI=1S/C15H28N4O/c1-5-19-13(3)15(12(2)16-19)11-18-8-7-17(4)14(10-18)6-9-20/h14,20H,5-11H2,1-4H3
InChIKeyJEQIMUDBQHGGEB-UHFFFAOYSA-N
XLogP1.02
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16190859
2-(trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 23005918
2-{4-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-isobutyl-2-piperazinyl}ethanol
CID 16190662
1-Methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol
CID 56728243
1-Methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56728245
1-Ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56730044
{(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methanol
CID 91920881
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol
CID 7172183
3-{ethyl[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}propane-1,2-diol
CID 46988918
1-{[1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}piperidine-3-carbonitrile
CID 77093882
(1S*,2R*)-2-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}cyclohexanol
CID 86286438
2-[3,5-Dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol
CID 99841375

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol (CID 45188701) is 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol is CCn1nc(C)c(CN2CCN(C)C(CCO)C2)c1C.
What is the InChIKey of 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is JEQIMUDBQHGGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-19-13(3)15(12(2)16-19)11-18-8-7-17(4)14(10-18)6-9-20/h14,20H,5-11H2,1-4H3.
What are the key properties of 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 280.42 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 45188701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).