5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide

C9H14N4OS — CID 43297022

IUPAC5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1N)C1CCSC1
InChIInChI=1S/C9H14N4OS/c1-13(6-2-3-15-5-6)9(14)7-4-11-12-8(7)10/h4,6H,2-3,5H2,1H3,(H3,10,11,12)
InChIKeyOJLNETGTXUAMMZ-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.57
Rot. Bonds2

About 5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide

5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 43297022) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID43297022
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1N)C1CCSC1
InChIInChI=1S/C9H14N4OS/c1-13(6-2-3-15-5-6)9(14)7-4-11-12-8(7)10/h4,6H,2-3,5H2,1H3,(H3,10,11,12)
InChIKeyOJLNETGTXUAMMZ-UHFFFAOYSA-N
XLogP0.57
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide (CID 43297022) is 5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide is CN(C(=O)c1cn[nH]c1N)C1CCSC1.
What is the InChIKey of 5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is OJLNETGTXUAMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-13(6-2-3-15-5-6)9(14)7-4-11-12-8(7)10/h4,6H,2-3,5H2,1H3,(H3,10,11,12).
What are the key properties of 5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide?
5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43297022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).