2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol

C19H27FN4O — CID 45187917

IUPAC2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1nn(C)cc1CN1CCN(Cc2ccccc2F)C(CCO)C1
InChIInChI=1S/C19H27FN4O/c1-15-17(11-22(2)21-15)12-23-8-9-24(18(14-23)7-10-25)13-16-5-3-4-6-19(16)20/h3-6,11,18,25H,7-10,12-14H2,1-2H3
InChIKeyJNRHHJIHCWLLGW-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.94
Rot. Bonds6

About 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol

2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45187917) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45187917
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1nn(C)cc1CN1CCN(Cc2ccccc2F)C(CCO)C1
InChIInChI=1S/C19H27FN4O/c1-15-17(11-22(2)21-15)12-23-8-9-24(18(14-23)7-10-25)13-16-5-3-4-6-19(16)20/h3-6,11,18,25H,7-10,12-14H2,1-2H3
InChIKeyJNRHHJIHCWLLGW-UHFFFAOYSA-N
XLogP1.94
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{1-(4-methylbenzyl)-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16188653
2-[1-(3,4-difluorobenzyl)-4-(1H-pyrazol-3-ylmethyl)piperazin-2-yl]ethanol
CID 16190588
2-{1-isopropyl-4-[3-(1H-pyrazol-1-yl)benzyl]-2-piperazinyl}ethanol
CID 16192436
[1-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 16188178
2-{1-cyclopentyl-4-[2-methyl-4-(1H-pyrazol-1-yl)benzyl]piperazin-2-yl}ethanol
CID 16188362
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
2-{4-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]-1-isobutylpiperazin-2-yl}ethanol
CID 16190995
2-{4-{[1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazinyl}ethanol
CID 16191494
2-[4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)-2-piperazinyl]ethanol
CID 16191709
2-{1-benzyl-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16191842
4-[(2-Fluorophenyl)methyl]-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidine
CID 28357663
1-[[1-Propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol
CID 155534366

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol (CID 45187917) is 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol is Cc1nn(C)cc1CN1CCN(Cc2ccccc2F)C(CCO)C1.
What is the InChIKey of 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is JNRHHJIHCWLLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-15-17(11-22(2)21-15)12-23-8-9-24(18(14-23)7-10-25)13-16-5-3-4-6-19(16)20/h3-6,11,18,25H,7-10,12-14H2,1-2H3.
What are the key properties of 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 346.45 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45187917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).