4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide

C9H16N4OS — CID 65355442

IUPAC4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
SMILESCSCCCNC(=O)c1nn(C)cc1N
InChIInChI=1S/C9H16N4OS/c1-13-6-7(10)8(12-13)9(14)11-4-3-5-15-2/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyHDERLTWKZUOSPA-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.49
Rot. Bonds5

About 4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide

4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide (PubChem CID 65355442) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
PubChem CID65355442
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
SMILESCSCCCNC(=O)c1nn(C)cc1N
InChIInChI=1S/C9H16N4OS/c1-13-6-7(10)8(12-13)9(14)11-4-3-5-15-2/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyHDERLTWKZUOSPA-UHFFFAOYSA-N
XLogP0.49
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620393
4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide
CID 106425236
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620405
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide
CID 65354090
4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide
CID 131241275

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide (CID 65355442) is 4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide is CSCCCNC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide?
The InChIKey is HDERLTWKZUOSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-13-6-7(10)8(12-13)9(14)11-4-3-5-15-2/h6H,3-5,10H2,1-2H3,(H,11,14).
What are the key properties of 4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide?
4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65355442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).