[(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone

C12H13N3O2S — CID 126789751

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccsc1)N1CC[C@@H](O)C1
InChIInChI=1S/C12H13N3O2S/c16-9-1-3-15(6-9)12(17)10-5-13-14-11(10)8-2-4-18-7-8/h2,4-5,7,9,16H,1,3,6H2,(H,13,14)/t9-/m1/s1
InChIKeyGOUQQIABJDCLHY-SECBINFHSA-N
MW263.32 g/mol
LogP1.35
Rot. Bonds2

About [(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone (PubChem CID 126789751) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
PubChem CID126789751
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccsc1)N1CC[C@@H](O)C1
InChIInChI=1S/C12H13N3O2S/c16-9-1-3-15(6-9)12(17)10-5-13-14-11(10)8-2-4-18-7-8/h2,4-5,7,9,16H,1,3,6H2,(H,13,14)/t9-/m1/s1
InChIKeyGOUQQIABJDCLHY-SECBINFHSA-N
XLogP1.35
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone 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 [(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone (CID 126789751) is [(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1-c1ccsc1)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is GOUQQIABJDCLHY-SECBINFHSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-9-1-3-15(6-9)12(17)10-5-13-14-11(10)8-2-4-18-7-8/h2,4-5,7,9,16H,1,3,6H2,(H,13,14)/t9-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 263.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 126789751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).