[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone

C16H19N3O4 — CID 136917830

IUPAC[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCC[C@@](O)(CO)C1
InChIInChI=1S/C16H19N3O4/c20-10-16(23)6-1-7-19(9-16)15(22)14-8-13(17-18-14)11-2-4-12(21)5-3-11/h2-5,8,20-21,23H,1,6-7,9-10H2,(H,17,18)/t16-/m0/s1
InChIKeyPDYOIIQAPWMBPI-INIZCTEOSA-N
MW317.34 g/mol
LogP0.74
Rot. Bonds3

About [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone

[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 136917830) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID136917830
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCC[C@@](O)(CO)C1
InChIInChI=1S/C16H19N3O4/c20-10-16(23)6-1-7-19(9-16)15(22)14-8-13(17-18-14)11-2-4-12(21)5-3-11/h2-5,8,20-21,23H,1,6-7,9-10H2,(H,17,18)/t16-/m0/s1
InChIKeyPDYOIIQAPWMBPI-INIZCTEOSA-N
XLogP0.74
TPSA109.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 136883827
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95718598
[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 124978991
3-fluoro-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 119259143
1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119250701
[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 45185678
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052
[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 125011424
1-[4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867230
[3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
CID 138386403

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone (CID 136917830) is [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone is O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCC[C@@](O)(CO)C1.
What is the InChIKey of [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is PDYOIIQAPWMBPI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-10-16(23)6-1-7-19(9-16)15(22)14-8-13(17-18-14)11-2-4-12(21)5-3-11/h2-5,8,20-21,23H,1,6-7,9-10H2,(H,17,18)/t16-/m0/s1.
What are the key properties of [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone?
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 317.34 g/mol, XLogP of 0.74, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 136917830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).