(3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

C16H25N3O — CID 134703983

IUPAC(3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(CC2CCCCC2)C[C@H]1Cc1cnccn1
InChIInChI=1S/C16H25N3O/c20-16-12-19(10-13-4-2-1-3-5-13)11-14(16)8-15-9-17-6-7-18-15/h6-7,9,13-14,16,20H,1-5,8,10-12H2/t14-,16-/m1/s1
InChIKeyGWYQYCBFVUFNER-GDBMZVCRSA-N
MW275.40 g/mol
LogP1.89
Rot. Bonds4

About (3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

(3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 134703983) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID134703983
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(CC2CCCCC2)C[C@H]1Cc1cnccn1
InChIInChI=1S/C16H25N3O/c20-16-12-19(10-13-4-2-1-3-5-13)11-14(16)8-15-9-17-6-7-18-15/h6-7,9,13-14,16,20H,1-5,8,10-12H2/t14-,16-/m1/s1
InChIKeyGWYQYCBFVUFNER-GDBMZVCRSA-N
XLogP1.89
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)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 (3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol (CID 134703983) is (3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol is O[C@@H]1CN(CC2CCCCC2)C[C@H]1Cc1cnccn1.
What is the InChIKey of (3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is GWYQYCBFVUFNER-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16-12-19(10-13-4-2-1-3-5-13)11-14(16)8-15-9-17-6-7-18-15/h6-7,9,13-14,16,20H,1-5,8,10-12H2/t14-,16-/m1/s1.
What are the key properties of (3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 275.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 134703983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).