(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol

C22H25N3O — CID 25459151

IUPAC(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCc1ccc(C)c(-n2cc(CN3CC[C@@H](O)C3)c(-c3ccccc3)n2)c1
InChIInChI=1S/C22H25N3O/c1-16-8-9-17(2)21(12-16)25-14-19(13-24-11-10-20(26)15-24)22(23-25)18-6-4-3-5-7-18/h3-9,12,14,20,26H,10-11,13,15H2,1-2H3/t20-/m1/s1
InChIKeyXXQSBTTUJOTHDP-HXUWFJFHSA-N
MW347.46 g/mol
LogP3.72
Rot. Bonds4

About (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol

(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol (PubChem CID 25459151) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol
PubChem CID25459151
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCc1ccc(C)c(-n2cc(CN3CC[C@@H](O)C3)c(-c3ccccc3)n2)c1
InChIInChI=1S/C22H25N3O/c1-16-8-9-17(2)21(12-16)25-14-19(13-24-11-10-20(26)15-24)22(23-25)18-6-4-3-5-7-18/h3-9,12,14,20,26H,10-11,13,15H2,1-2H3/t20-/m1/s1
InChIKeyXXQSBTTUJOTHDP-HXUWFJFHSA-N
XLogP3.72
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-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 (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol (CID 25459151) is (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol is Cc1ccc(C)c(-n2cc(CN3CC[C@@H](O)C3)c(-c3ccccc3)n2)c1.
What is the InChIKey of (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol?
The InChIKey is XXQSBTTUJOTHDP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-8-9-17(2)21(12-16)25-14-19(13-24-11-10-20(26)15-24)22(23-25)18-6-4-3-5-7-18/h3-9,12,14,20,26H,10-11,13,15H2,1-2H3/t20-/m1/s1.
What are the key properties of (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol has a molecular weight of 347.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 25459151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).