(5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone

C11H13N5OS — CID 175789267

IUPAC(5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESNc1cc(C2CCCN2)nn1C(=O)c1cscn1
InChIInChI=1S/C11H13N5OS/c12-10-4-8(7-2-1-3-13-7)15-16(10)11(17)9-5-18-6-14-9/h4-7,13H,1-3,12H2
InChIKeyPVGRVVCMUFBSKN-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.03
Rot. Bonds2

About (5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone

(5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 175789267) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is (5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID175789267
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name(5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESNc1cc(C2CCCN2)nn1C(=O)c1cscn1
InChIInChI=1S/C11H13N5OS/c12-10-4-8(7-2-1-3-13-7)15-16(10)11(17)9-5-18-6-14-9/h4-7,13H,1-3,12H2
InChIKeyPVGRVVCMUFBSKN-UHFFFAOYSA-N
XLogP1.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-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 (5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone (CID 175789267) is (5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone is Nc1cc(C2CCCN2)nn1C(=O)c1cscn1.
What is the InChIKey of (5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is PVGRVVCMUFBSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c12-10-4-8(7-2-1-3-13-7)15-16(10)11(17)9-5-18-6-14-9/h4-7,13H,1-3,12H2.
What are the key properties of (5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone?
(5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 263.33 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 175789267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).