(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C21H20FN3O3 — CID 56752335

IUPAC(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1c(O)cccc1O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C21H20FN3O3/c22-15-4-1-3-14(11-15)16-12-23-24-20(16)13-7-9-25(10-8-13)21(28)19-17(26)5-2-6-18(19)27/h1-6,11-13,26-27H,7-10H2,(H,23,24)
InChIKeyREURHSYSAQBRKW-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.65
Rot. Bonds3

About (2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 56752335) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is (2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID56752335
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1c(O)cccc1O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C21H20FN3O3/c22-15-4-1-3-14(11-15)16-12-23-24-20(16)13-7-9-25(10-8-13)21(28)19-17(26)5-2-6-18(19)27/h1-6,11-13,26-27H,7-10H2,(H,23,24)
InChIKeyREURHSYSAQBRKW-UHFFFAOYSA-N
XLogP3.65
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dihydroxyphenyl)-[2-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117967730
3-{[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]carbonyl}-2-methylphenol
CID 56748285
[2-(difluoromethoxy)phenyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70728835
(E)-1-(2-hydroxyphenyl)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]prop-2-en-1-one
CID 127051233
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 50972801
[3-(3,4-Difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 56738939
[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 56755442
[3-(2-Fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-hydroxyphenyl)methanone
CID 56757923
N'-[(E)-[3-(4-Fluorophenyl)-1H-pyrazol-4-YL]methylidene]-2-hydroxybenzohydrazide
CID 135490776
N-[3-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(3-fluoro-4-phenylphenyl)propyl]-2-hydroxybenzamide
CID 69698287
N-cyclopropyl-4-(2,6-difluorophenyl)-2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 90381950
N-cyclopropyl-4-(2-fluorophenyl)-2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 90382010

Frequently Asked Questions

What is the IUPAC name of (2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 56752335) is (2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is O=C(c1c(O)cccc1O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1.
What is the InChIKey of (2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is REURHSYSAQBRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-15-4-1-3-14(11-15)16-12-23-24-20(16)13-7-9-25(10-8-13)21(28)19-17(26)5-2-6-18(19)27/h1-6,11-13,26-27H,7-10H2,(H,23,24).
What are the key properties of (2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 381.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 56752335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).