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

C8H10N4OS — CID 155046571

IUPAC1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(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)
InChIKeyVMVXAZZTKWWMNM-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.05
Rot. Bonds2

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

1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide (PubChem CID 155046571) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide
PubChem CID155046571
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(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)
InChIKeyVMVXAZZTKWWMNM-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide?
The IUPAC name of 1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide (CID 155046571) is 1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide is NC(=O)C1CCN(c2ccn[nH]2)C1=S.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide?
The InChIKey is VMVXAZZTKWWMNM-UHFFFAOYSA-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).
What are the key properties of 1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide?
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 1-(1H-pyrazol-5-yl)-2-sulfanylidenepyrrolidine-3-carboxamide is sourced from PubChem (CID 155046571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).