1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol

C17H22FN3O — CID 51104368

IUPAC1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol
SMILESCn1nccc1C1CCN(CC(O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H22FN3O/c1-20-16(5-8-19-20)13-6-9-21(10-7-13)12-17(22)14-3-2-4-15(18)11-14/h2-5,8,11,13,17,22H,6-7,9-10,12H2,1H3
InChIKeyBQTQENBYFQEDNV-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.47
Rot. Bonds4

About 1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol

1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol (PubChem CID 51104368) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol
PubChem CID51104368
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol
SMILESCn1nccc1C1CCN(CC(O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H22FN3O/c1-20-16(5-8-19-20)13-6-9-21(10-7-13)12-17(22)14-3-2-4-15(18)11-14/h2-5,8,11,13,17,22H,6-7,9-10,12H2,1H3
InChIKeyBQTQENBYFQEDNV-UHFFFAOYSA-N
XLogP2.47
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cizolirtine
CID 132412
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](4-fluorophenyl)methanol
CID 10000582
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](2-fluorophenyl)methanol
CID 10046928
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](4-fluorophenyl)methanol
CID 10453115
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](4-fluorophenyl)methanol
CID 10454007
Glucocorticoids receptor agonist 2
CID 10475384
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](4-fluorophenyl)methanol
CID 11429662
(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
(R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-pyridin-4-yl-methanol
CID 10452933
1-phenyl-2-(1H-pyrazol-1-yl)ethanol
CID 3245641
[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-phenyl-methanol
CID 44394823
(4-Fluoro-phenyl)-[(4aR,5S)-1-(4-fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-methanol
CID 44394878

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol (CID 51104368) is 1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol is Cn1nccc1C1CCN(CC(O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol?
The InChIKey is BQTQENBYFQEDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-20-16(5-8-19-20)13-6-9-21(10-7-13)12-17(22)14-3-2-4-15(18)11-14/h2-5,8,11,13,17,22H,6-7,9-10,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol?
1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol has a molecular weight of 303.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 51104368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).