[(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol

C22H25N3O2 — CID 155911732

IUPAC[(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESCn1cc(CN2CCO[C@@H](CO)[C@@H]2c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C22H25N3O2/c1-24-14-19(21(23-24)17-8-4-2-5-9-17)15-25-12-13-27-20(16-26)22(25)18-10-6-3-7-11-18/h2-11,14,20,22,26H,12-13,15-16H2,1H3/t20-,22-/m0/s1
InChIKeyCPZRKYSNKIASJM-UNMCSNQZSA-N
MW363.46 g/mol
LogP3.02
Rot. Bonds5

About [(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol

[(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol (PubChem CID 155911732) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
PubChem CID155911732
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESCn1cc(CN2CCO[C@@H](CO)[C@@H]2c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C22H25N3O2/c1-24-14-19(21(23-24)17-8-4-2-5-9-17)15-25-12-13-27-20(16-26)22(25)18-10-6-3-7-11-18/h2-11,14,20,22,26H,12-13,15-16H2,1H3/t20-,22-/m0/s1
InChIKeyCPZRKYSNKIASJM-UNMCSNQZSA-N
XLogP3.02
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134711340
[(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134711284
[(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134704142
[(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134706044
[(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134702161
[(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134709769
[(2S,3R)-4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134703932
[(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134712032
2-[3-[[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methyl]phenoxy]ethanol
CID 134699437
[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 42244283
1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone
CID 157015040
(2S)-1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-4-methyl-2-phenylpiperazine
CID 28697901

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
The IUPAC name of [(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol (CID 155911732) is [(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
The canonical SMILES for [(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol is Cn1cc(CN2CCO[C@@H](CO)[C@@H]2c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of [(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
The InChIKey is CPZRKYSNKIASJM-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24-14-19(21(23-24)17-8-4-2-5-9-17)15-25-12-13-27-20(16-26)22(25)18-10-6-3-7-11-18/h2-11,14,20,22,26H,12-13,15-16H2,1H3/t20-,22-/m0/s1.
What are the key properties of [(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
[(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol has a molecular weight of 363.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol is sourced from PubChem (CID 155911732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).