(2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol

C17H23N3O2 — CID 100718470

IUPAC(2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccn[nH]1
InChIInChI=1S/C17H23N3O2/c1-13-5-2-3-7-17(13)22-12-14(21)11-20-10-4-6-16(20)15-8-9-18-19-15/h2-3,5,7-9,14,16,21H,4,6,10-12H2,1H3,(H,18,19)/t14-,16+/m0/s1
InChIKeyBKBAJXFHAYJQHB-GOEBONIOSA-N
MW301.39 g/mol
LogP2.29
Rot. Bonds6

About (2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol

(2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 100718470) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol
PubChem CID100718470
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccn[nH]1
InChIInChI=1S/C17H23N3O2/c1-13-5-2-3-7-17(13)22-12-14(21)11-20-10-4-6-16(20)15-8-9-18-19-15/h2-3,5,7-9,14,16,21H,4,6,10-12H2,1H3,(H,18,19)/t14-,16+/m0/s1
InChIKeyBKBAJXFHAYJQHB-GOEBONIOSA-N
XLogP2.29
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol
CID 125142936
1-(2-benzylpyrrolidin-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 134033749
5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110255983
(2S)-1-(2,6-dimethylphenoxy)-3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]propan-2-ol
CID 124725003
1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine
CID 110106146
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 11901367
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
(2S)-1-(2-propan-2-ylphenoxy)-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-2-ol
CID 7042818
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 111122489

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol (CID 100718470) is (2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol is Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccn[nH]1.
What is the InChIKey of (2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is BKBAJXFHAYJQHB-GOEBONIOSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-5-2-3-7-17(13)22-12-14(21)11-20-10-4-6-16(20)15-8-9-18-19-15/h2-3,5,7-9,14,16,21H,4,6,10-12H2,1H3,(H,18,19)/t14-,16+/m0/s1.
What are the key properties of (2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol?
(2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 100718470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).