N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide

C10H16N4OS — CID 103117952

IUPACN-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide
SMILESCCCN(CC(N)=S)C(=O)c1ccn(C)n1
InChIInChI=1S/C10H16N4OS/c1-3-5-14(7-9(11)16)10(15)8-4-6-13(2)12-8/h4,6H,3,5,7H2,1-2H3,(H2,11,16)
InChIKeyALKWXFRJZLSXEH-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.56
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide

N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide (PubChem CID 103117952) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide
PubChem CID103117952
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide
SMILESCCCN(CC(N)=S)C(=O)c1ccn(C)n1
InChIInChI=1S/C10H16N4OS/c1-3-5-14(7-9(11)16)10(15)8-4-6-13(2)12-8/h4,6H,3,5,7H2,1-2H3,(H2,11,16)
InChIKeyALKWXFRJZLSXEH-UHFFFAOYSA-N
XLogP0.56
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide
CID 103915328
N-(2-amino-2-sulfanylideneethyl)-N-propyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908478
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81445579
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 103116038
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-3-carboxamide
CID 103121379
1-methylpyrazole-3-carboxamide
CID 13464586
N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide
CID 62338785
N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
CID 107365593
N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide
CID 103122847
2-[(1-methylpyrazole-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 103116999
N-(2-bromoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 107492514

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide (CID 103117952) is N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide is CCCN(CC(N)=S)C(=O)c1ccn(C)n1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide?
The InChIKey is ALKWXFRJZLSXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-3-5-14(7-9(11)16)10(15)8-4-6-13(2)12-8/h4,6H,3,5,7H2,1-2H3,(H2,11,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 103117952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).