4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide

C11H20N4O2S — CID 106308600

IUPAC4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCCSCCCO)n1
InChIInChI=1S/C11H20N4O2S/c1-2-15-8-9(12)10(14-15)11(17)13-4-7-18-6-3-5-16/h8,16H,2-7,12H2,1H3,(H,13,17)
InChIKeyAHOMUONHMBYHMS-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.33
Rot. Bonds8

About 4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide

4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide (PubChem CID 106308600) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide
PubChem CID106308600
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCCSCCCO)n1
InChIInChI=1S/C11H20N4O2S/c1-2-15-8-9(12)10(14-15)11(17)13-4-7-18-6-3-5-16/h8,16H,2-7,12H2,1H3,(H,13,17)
InChIKeyAHOMUONHMBYHMS-UHFFFAOYSA-N
XLogP0.33
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 106139430
4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 65358786
4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 65357738
4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpyrazole-5-carboxamide
CID 106308564
4-amino-1-ethyl-N-[2-(ethylsulfamoyl)ethyl]pyrazole-3-carboxamide
CID 106332871
4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65363321
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide
CID 114615025
4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 107229536
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide
CID 19620451
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 103800655

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide (CID 106308600) is 4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NCCSCCCO)n1.
What is the InChIKey of 4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is AHOMUONHMBYHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-2-15-8-9(12)10(14-15)11(17)13-4-7-18-6-3-5-16/h8,16H,2-7,12H2,1H3,(H,13,17).
What are the key properties of 4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide?
4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 0.33, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 106308600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).