(3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

C15H21N5O2 — CID 135101432

IUPAC(3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(Cc3nc(C4CC4)no3)C[C@H]2O)n[nH]1
InChIInChI=1S/C15H21N5O2/c1-9-4-12(18-17-9)5-11-6-20(7-13(11)21)8-14-16-15(19-22-14)10-2-3-10/h4,10-11,13,21H,2-3,5-8H2,1H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyYSLNCDTVZCFAMN-DGCLKSJQSA-N
MW303.37 g/mol
LogP1.01
Rot. Bonds5

About (3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

(3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 135101432) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID135101432
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(Cc3nc(C4CC4)no3)C[C@H]2O)n[nH]1
InChIInChI=1S/C15H21N5O2/c1-9-4-12(18-17-9)5-11-6-20(7-13(11)21)8-14-16-15(19-22-14)10-2-3-10/h4,10-11,13,21H,2-3,5-8H2,1H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyYSLNCDTVZCFAMN-DGCLKSJQSA-N
XLogP1.01
TPSA91.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 71926958
3-(2-methoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 71927008
3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 71927055
1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-6-ol
CID 74243727
3-cyclopropyl-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 97004625
3-cyclopropyl-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 97004626
3-(2-methoxyethyl)-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 97004627
3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 97004628
3-[(1S)-1-ethoxyethyl]-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 97029332
3-[(1R)-1-ethoxyethyl]-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 97029333
(6S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-6-ol
CID 97933535
(6R)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-6-ol
CID 99981402

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol (CID 135101432) is (3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol is Cc1cc(C[C@@H]2CN(Cc3nc(C4CC4)no3)C[C@H]2O)n[nH]1.
What is the InChIKey of (3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is YSLNCDTVZCFAMN-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9-4-12(18-17-9)5-11-6-20(7-13(11)21)8-14-16-15(19-22-14)10-2-3-10/h4,10-11,13,21H,2-3,5-8H2,1H3,(H,17,18)/t11-,13-/m1/s1.
What are the key properties of (3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
(3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 303.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 135101432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).