(1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol

C18H25N3O2 — CID 100842107

IUPAC(1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol
SMILESCOc1c([C@@H]2CCCN2C[C@@H](O)c2ccccc2)c(C)nn1C
InChIInChI=1S/C18H25N3O2/c1-13-17(18(23-3)20(2)19-13)15-10-7-11-21(15)12-16(22)14-8-5-4-6-9-14/h4-6,8-9,15-16,22H,7,10-12H2,1-3H3/t15-,16+/m0/s1
InChIKeyMADYBCYGPJZGMX-JKSUJKDBSA-N
MW315.42 g/mol
LogP2.61
Rot. Bonds5

About (1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol

(1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol (PubChem CID 100842107) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol
PubChem CID100842107
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol
SMILESCOc1c([C@@H]2CCCN2C[C@@H](O)c2ccccc2)c(C)nn1C
InChIInChI=1S/C18H25N3O2/c1-13-17(18(23-3)20(2)19-13)15-10-7-11-21(15)12-16(22)14-8-5-4-6-9-14/h4-6,8-9,15-16,22H,7,10-12H2,1-3H3/t15-,16+/m0/s1
InChIKeyMADYBCYGPJZGMX-JKSUJKDBSA-N
XLogP2.61
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol with MolForge

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Related Compounds

(1S)-1-(4-fluorophenyl)-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 100842121
(1S)-1-(3-fluorophenyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 100842129
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95750977
(1S)-1-(2-chlorophenyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 100842127
(2S)-1-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenoxypropan-2-ol
CID 95750946
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol
CID 110880168
2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole
CID 95751027
5-methoxy-4-[(2R)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-1,3-dimethylpyrazole
CID 95750913
(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol
CID 94000959
2-[2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 95751012
2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 100842100
(1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol
CID 125142936

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol (CID 100842107) is (1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol is COc1c([C@@H]2CCCN2C[C@@H](O)c2ccccc2)c(C)nn1C.
What is the InChIKey of (1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol?
The InChIKey is MADYBCYGPJZGMX-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-17(18(23-3)20(2)19-13)15-10-7-11-21(15)12-16(22)14-8-5-4-6-9-14/h4-6,8-9,15-16,22H,7,10-12H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of (1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol?
(1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol has a molecular weight of 315.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 100842107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).