5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide

C9H16N4O3S — CID 115330667

IUPAC5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCCS(C)(=O)=O)c1N
InChIInChI=1S/C9H16N4O3S/c1-13-8(10)7(6-12-13)9(14)11-4-3-5-17(2,15)16/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyOQWDXKLJURAEFT-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.83
Rot. Bonds5

About 5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide

5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide (PubChem CID 115330667) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide
PubChem CID115330667
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCCS(C)(=O)=O)c1N
InChIInChI=1S/C9H16N4O3S/c1-13-8(10)7(6-12-13)9(14)11-4-3-5-17(2,15)16/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyOQWDXKLJURAEFT-UHFFFAOYSA-N
XLogP-0.83
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 104587708
5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide
CID 113355612
5-amino-1-methyl-N-[3-(2-methylpropoxy)propyl]pyrazole-4-carboxamide
CID 113355603
5-amino-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 115330672
5-amino-N-[2-(diethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 82546931
5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
CID 110485264
5-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 115330468
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 104592175
5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide
CID 104586972

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide (CID 115330667) is 5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide is Cn1ncc(C(=O)NCCCS(C)(=O)=O)c1N.
What is the InChIKey of 5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide?
The InChIKey is OQWDXKLJURAEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-13-8(10)7(6-12-13)9(14)11-4-3-5-17(2,15)16/h6H,3-5,10H2,1-2H3,(H,11,14).
What are the key properties of 5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide?
5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide has a molecular weight of 260.32 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 115330667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).