(3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol

C12H22N4O — CID 131894897

IUPAC(3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCCn1ccc(CN2C[C@H](O)[C@@H](N(C)C)C2)n1
InChIInChI=1S/C12H22N4O/c1-4-16-6-5-10(13-16)7-15-8-11(14(2)3)12(17)9-15/h5-6,11-12,17H,4,7-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyXIIJGLMIQAIZLY-RYUDHWBXSA-N
MW238.33 g/mol
LogP0.01
Rot. Bonds4

About (3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol

(3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 131894897) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is (3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID131894897
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name(3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCCn1ccc(CN2C[C@H](O)[C@@H](N(C)C)C2)n1
InChIInChI=1S/C12H22N4O/c1-4-16-6-5-10(13-16)7-15-8-11(14(2)3)12(17)9-15/h5-6,11-12,17H,4,7-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyXIIJGLMIQAIZLY-RYUDHWBXSA-N
XLogP0.01
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-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 (3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol (CID 131894897) is (3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol is CCn1ccc(CN2C[C@H](O)[C@@H](N(C)C)C2)n1.
What is the InChIKey of (3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is XIIJGLMIQAIZLY-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-16-6-5-10(13-16)7-15-8-11(14(2)3)12(17)9-15/h5-6,11-12,17H,4,7-9H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
(3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 238.33 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 131894897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).