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

C10H16N4OS — CID 62904276

IUPAC3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
SMILESCC(C(=O)Nc1cnn(C(C)C)c1)C(N)=S
InChIInChI=1S/C10H16N4OS/c1-6(2)14-5-8(4-12-14)13-10(15)7(3)9(11)16/h4-7H,1-3H3,(H2,11,16)(H,13,15)
InChIKeyQDDQRJFZNQULQM-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.32
Rot. Bonds4

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

3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide (PubChem CID 62904276) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
PubChem CID62904276
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
SMILESCC(C(=O)Nc1cnn(C(C)C)c1)C(N)=S
InChIInChI=1S/C10H16N4OS/c1-6(2)14-5-8(4-12-14)13-10(15)7(3)9(11)16/h4-7H,1-3H3,(H2,11,16)(H,13,15)
InChIKeyQDDQRJFZNQULQM-UHFFFAOYSA-N
XLogP1.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.32
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-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579
2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904611
2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904075
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
CID 78920031
4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
2,4-diamino-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 62902803
4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 62904110
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide (CID 62904276) is 3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide is CC(C(=O)Nc1cnn(C(C)C)c1)C(N)=S.
What is the InChIKey of 3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide?
The InChIKey is QDDQRJFZNQULQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-6(2)14-5-8(4-12-14)13-10(15)7(3)9(11)16/h4-7H,1-3H3,(H2,11,16)(H,13,15).
What are the key properties of 3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide?
3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide has a molecular weight of 240.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 62904276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).