2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol

C16H30N4O — CID 45173780

IUPAC2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCc1nn(C(C)C)c(C)c1CN1CCN(C)C(CCO)C1
InChIInChI=1S/C16H30N4O/c1-12(2)20-14(4)16(13(3)17-20)11-19-8-7-18(5)15(10-19)6-9-21/h12,15,21H,6-11H2,1-5H3
InChIKeyXVDZAAABUNDARZ-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.58
Rot. Bonds5

About 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol

2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 45173780) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
PubChem CID45173780
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCc1nn(C(C)C)c(C)c1CN1CCN(C)C(CCO)C1
InChIInChI=1S/C16H30N4O/c1-12(2)20-14(4)16(13(3)17-20)11-19-8-7-18(5)15(10-19)6-9-21/h12,15,21H,6-11H2,1-5H3
InChIKeyXVDZAAABUNDARZ-UHFFFAOYSA-N
XLogP1.58
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol with MolForge

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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-cyclopentylpiperazin-2-yl}ethanol
CID 16189807
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
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol
CID 7172183
1-{[1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}piperidine-3-carbonitrile
CID 77093882
2-[3,5-Dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol
CID 99841375
2-{[(e)-(1-Isopropyl-3,5-dimethyl-1h-pyrazol-4-yl)methylidene]amino}ethanol
CID 129750040
2-{[(e)-(1-Isopropyl-3,5-dimethyl-1h-pyrazol-4-yl)methylidene]amino}butan-1-ol
CID 134612881

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol (CID 45173780) is 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol is Cc1nn(C(C)C)c(C)c1CN1CCN(C)C(CCO)C1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is XVDZAAABUNDARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-12(2)20-14(4)16(13(3)17-20)11-19-8-7-18(5)15(10-19)6-9-21/h12,15,21H,6-11H2,1-5H3.
What are the key properties of 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 294.44 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 45173780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).