3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide

C9H14N4OS — CID 62903579

IUPAC3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
SMILESCC(C)n1cc(NC(=O)CC(N)=S)cn1
InChIInChI=1S/C9H14N4OS/c1-6(2)13-5-7(4-11-13)12-9(14)3-8(10)15/h4-6H,3H2,1-2H3,(H2,10,15)(H,12,14)
InChIKeyUKONUSCHEZNSRN-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.08
Rot. Bonds4

About 3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide

3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide (PubChem CID 62903579) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
PubChem CID62903579
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
SMILESCC(C)n1cc(NC(=O)CC(N)=S)cn1
InChIInChI=1S/C9H14N4OS/c1-6(2)13-5-7(4-11-13)12-9(14)3-8(10)15/h4-6H,3H2,1-2H3,(H2,10,15)(H,12,14)
InChIKeyUKONUSCHEZNSRN-UHFFFAOYSA-N
XLogP1.08
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62904276
4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
2-anilino-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 55132216
3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62904261
2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 81168482
2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904611
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 62904626
2,4-diamino-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 62902803
N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
CID 78920031
2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904075

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide (CID 62903579) is 3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide is CC(C)n1cc(NC(=O)CC(N)=S)cn1.
What is the InChIKey of 3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide?
The InChIKey is UKONUSCHEZNSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6(2)13-5-7(4-11-13)12-9(14)3-8(10)15/h4-6H,3H2,1-2H3,(H2,10,15)(H,12,14).
What are the key properties of 3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide?
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide has a molecular weight of 226.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 62903579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).