3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide

C9H14N4OS — CID 107463267

IUPAC3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
SMILESCCc1nn(C)cc1NC(=O)CC(N)=S
InChIInChI=1S/C9H14N4OS/c1-3-6-7(5-13(2)12-6)11-9(14)4-8(10)15/h5H,3-4H2,1-2H3,(H2,10,15)(H,11,14)
InChIKeyXQFAVHZBLIVSMY-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.60
Rot. Bonds4

About 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide

3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide (PubChem CID 107463267) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
PubChem CID107463267
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
SMILESCCc1nn(C)cc1NC(=O)CC(N)=S
InChIInChI=1S/C9H14N4OS/c1-3-6-7(5-13(2)12-6)11-9(14)4-8(10)15/h5H,3-4H2,1-2H3,(H2,10,15)(H,11,14)
InChIKeyXQFAVHZBLIVSMY-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
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-ethyl-1-methylpyrazol-4-yl)thiourea
CID 107462555
2-amino-N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]acetamide
CID 107463145
2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 107461981
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463077
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 113369006
2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 107463005
2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid
CID 107462256
2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine
CID 107463459
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
CID 107463141
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
CID 107462698
N-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 103908575

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide (CID 107463267) is 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide is CCc1nn(C)cc1NC(=O)CC(N)=S.
What is the InChIKey of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide?
The InChIKey is XQFAVHZBLIVSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-3-6-7(5-13(2)12-6)11-9(14)4-8(10)15/h5H,3-4H2,1-2H3,(H2,10,15)(H,11,14).
What are the key properties of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide?
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide has a molecular weight of 226.30 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 107463267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).