2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol

C17H23FN4O — CID 45179635

IUPAC2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2cc(F)ccc2-n2cccn2)CC1CCO
InChIInChI=1S/C17H23FN4O/c1-20-8-9-21(13-16(20)5-10-23)12-14-11-15(18)3-4-17(14)22-7-2-6-19-22/h2-4,6-7,11,16,23H,5,8-10,12-13H2,1H3
InChIKeyAHTTVYVWQHTUSO-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.51
Rot. Bonds5

About 2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol

2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 45179635) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol
PubChem CID45179635
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2cc(F)ccc2-n2cccn2)CC1CCO
InChIInChI=1S/C17H23FN4O/c1-20-8-9-21(13-16(20)5-10-23)12-14-11-15(18)3-4-17(14)22-7-2-6-19-22/h2-4,6-7,11,16,23H,5,8-10,12-13H2,1H3
InChIKeyAHTTVYVWQHTUSO-UHFFFAOYSA-N
XLogP1.51
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98588112
2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 51901854
2-[1-(3-methylbut-2-enyl)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 45197047
4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 156608964
1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137341336
(3S,4S)-1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135113021
(3aR,7aR)-2-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137339931
2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 98596791
2-[(2R)-4-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98573073
2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 131927341
(1S,3R)-3-(2-aminoethoxy)-7-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 133139128
[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 131939511

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol (CID 45179635) is 2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol is CN1CCN(Cc2cc(F)ccc2-n2cccn2)CC1CCO.
What is the InChIKey of 2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is AHTTVYVWQHTUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-20-8-9-21(13-16(20)5-10-23)12-14-11-15(18)3-4-17(14)22-7-2-6-19-22/h2-4,6-7,11,16,23H,5,8-10,12-13H2,1H3.
What are the key properties of 2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol?
2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 318.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 45179635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).