(4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol

C23H22N2O3 — CID 6976785

IUPAC(4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
SMILESCOc1ccc([C@@H]2NN=C(c3ccccc3OCc3ccccc3)[C@@H]2O)cc1
InChIInChI=1S/C23H22N2O3/c1-27-18-13-11-17(12-14-18)21-23(26)22(25-24-21)19-9-5-6-10-20(19)28-15-16-7-3-2-4-8-16/h2-14,21,23-24,26H,15H2,1H3/t21-,23+/m0/s1
InChIKeyIPFIJAXQQJCEBJ-JTHBVZDNSA-N
MW374.44 g/mol
LogP3.68
Rot. Bonds6

About (4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol

(4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol (PubChem CID 6976785) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol.

Molecular Properties

Compound Name(4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
PubChem CID6976785
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
SMILESCOc1ccc([C@@H]2NN=C(c3ccccc3OCc3ccccc3)[C@@H]2O)cc1
InChIInChI=1S/C23H22N2O3/c1-27-18-13-11-17(12-14-18)21-23(26)22(25-24-21)19-9-5-6-10-20(19)28-15-16-7-3-2-4-8-16/h2-14,21,23-24,26H,15H2,1H3/t21-,23+/m0/s1
InChIKeyIPFIJAXQQJCEBJ-JTHBVZDNSA-N
XLogP3.68
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
CID 1181816
(4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
CID 135708168
(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 10379085
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole
CID 57432903
2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene
CID 168720092
2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
CID 172993953
3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine
CID 101390623
(5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone
CID 7036097
2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol
CID 135026155
1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole
CID 155184214

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol?
The IUPAC name of (4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol (CID 6976785) is (4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol.
What is the SMILES notation for (4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol?
The canonical SMILES for (4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol is COc1ccc([C@@H]2NN=C(c3ccccc3OCc3ccccc3)[C@@H]2O)cc1.
What is the InChIKey of (4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol?
The InChIKey is IPFIJAXQQJCEBJ-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-27-18-13-11-17(12-14-18)21-23(26)22(25-24-21)19-9-5-6-10-20(19)28-15-16-7-3-2-4-8-16/h2-14,21,23-24,26H,15H2,1H3/t21-,23+/m0/s1.
What are the key properties of (4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol?
(4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol has a molecular weight of 374.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol is sourced from PubChem (CID 6976785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).