(3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide

C8H10N4OS — CID 155046560

IUPAC(3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(c2ccn[nH]2)C1=S
InChIInChI=1S/C8H10N4OS/c9-7(13)5-2-4-12(8(5)14)6-1-3-10-11-6/h1,3,5H,2,4H2,(H2,9,13)(H,10,11)/t5-/m0/s1
InChIKeyVMVXAZZTKWWMNM-YFKPBYRVSA-N
MW210.26 g/mol
LogP0.05
Rot. Bonds2

About (3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide

(3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide (PubChem CID 155046560) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is (3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide
PubChem CID155046560
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name(3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(c2ccn[nH]2)C1=S
InChIInChI=1S/C8H10N4OS/c9-7(13)5-2-4-12(8(5)14)6-1-3-10-11-6/h1,3,5H,2,4H2,(H2,9,13)(H,10,11)/t5-/m0/s1
InChIKeyVMVXAZZTKWWMNM-YFKPBYRVSA-N
XLogP0.05
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide 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)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide (CID 155046560) is (3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide is NC(=O)[C@@H]1CCN(c2ccn[nH]2)C1=S.
What is the InChIKey of (3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide?
The InChIKey is VMVXAZZTKWWMNM-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10N4OS/c9-7(13)5-2-4-12(8(5)14)6-1-3-10-11-6/h1,3,5H,2,4H2,(H2,9,13)(H,10,11)/t5-/m0/s1.
What are the key properties of (3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide?
(3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide has a molecular weight of 210.26 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide is sourced from PubChem (CID 155046560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).