(2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol

C17H23N3O2 — CID 97470237

IUPAC(2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCOc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)cc1
InChIInChI=1S/C17H23N3O2/c1-19-11-14(10-18-19)9-16-17(21)7-8-20(16)12-13-3-5-15(22-2)6-4-13/h3-6,10-11,16-17,21H,7-9,12H2,1-2H3/t16-,17+/m0/s1
InChIKeySCIRIHXLAPNEKC-DLBZAZTESA-N
MW301.39 g/mol
LogP1.61
Rot. Bonds5

About (2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol

(2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 97470237) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID97470237
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCOc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)cc1
InChIInChI=1S/C17H23N3O2/c1-19-11-14(10-18-19)9-16-17(21)7-8-20(16)12-13-3-5-15(22-2)6-4-13/h3-6,10-11,16-17,21H,7-9,12H2,1-2H3/t16-,17+/m0/s1
InChIKeySCIRIHXLAPNEKC-DLBZAZTESA-N
XLogP1.61
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (CID 97470237) is (2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is COc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)cc1.
What is the InChIKey of (2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is SCIRIHXLAPNEKC-DLBZAZTESA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-11-14(10-18-19)9-16-17(21)7-8-20(16)12-13-3-5-15(22-2)6-4-13/h3-6,10-11,16-17,21H,7-9,12H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
(2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 301.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-[(4-methoxyphenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 97470237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).