(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

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Related Compounds

(3S,4R)-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 135113538
(3S,4R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 135091600
(3S,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134712569
(3S,4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 135107162
(3S,4R)-1-[2-(4-fluorophenoxy)ethyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 135096566
N-cyclooctyl-4-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 135105073
(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrrolidin-3-ol
CID 134710153
(3S,4R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134706124
(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 155501090
3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 135104096
(3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 135090193
(3S,4R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134706673

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).