2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide

C24H22N4O3 — CID 137293900

IUPAC2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
SMILESO=C(N[C@@H](CO)Cc1ccccn1)c1ccccc1-c1cc(-c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C24H22N4O3/c29-15-18(13-17-5-3-4-12-25-17)26-24(31)21-7-2-1-6-20(21)23-14-22(27-28-23)16-8-10-19(30)11-9-16/h1-12,14,18,29-30H,13,15H2,(H,26,31)(H,27,28)/t18-/m1/s1
InChIKeyISSFDFFJORPBQC-GOSISDBHSA-N
MW414.47 g/mol
LogP3.18
Rot. Bonds7

About 2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide

2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide (PubChem CID 137293900) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
PubChem CID137293900
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
SMILESO=C(N[C@@H](CO)Cc1ccccn1)c1ccccc1-c1cc(-c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C24H22N4O3/c29-15-18(13-17-5-3-4-12-25-17)26-24(31)21-7-2-1-6-20(21)23-14-22(27-28-23)16-8-10-19(30)11-9-16/h1-12,14,18,29-30H,13,15H2,(H,26,31)(H,27,28)/t18-/m1/s1
InChIKeyISSFDFFJORPBQC-GOSISDBHSA-N
XLogP3.18
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
CID 135137947
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(hydroxymethyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
CID 135138289
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-3-(trifluoromethoxy)benzamide
CID 135138442
3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide
CID 175135041
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(4-hydroxy-1-pyridin-2-ylbutan-2-yl)benzamide
CID 135138691
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-4-hydroxy-1-pyridin-2-ylbutan-2-yl]benzamide
CID 135137981
N-[(2S,4S)-4,5-dihydroxy-1-pyridin-2-ylpentan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138722
2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 135138614
2-bromo-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide
CID 91652329
N-[(2R,3R)-3,4-dihydroxy-1-pyridin-2-ylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138633
2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
CID 142384422
N-[(2S,3S)-3,4-dihydroxy-1-pyridin-2-ylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138104

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?
The IUPAC name of 2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide (CID 137293900) is 2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide is O=C(N[C@@H](CO)Cc1ccccn1)c1ccccc1-c1cc(-c2ccc(O)cc2)n[nH]1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?
The InChIKey is ISSFDFFJORPBQC-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-15-18(13-17-5-3-4-12-25-17)26-24(31)21-7-2-1-6-20(21)23-14-22(27-28-23)16-8-10-19(30)11-9-16/h1-12,14,18,29-30H,13,15H2,(H,26,31)(H,27,28)/t18-/m1/s1.
What are the key properties of 2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?
2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide has a molecular weight of 414.47 g/mol, XLogP of 3.18, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 137293900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).