3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride

C11H18ClN3O4S — CID 65371335

IUPAC3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCCc1[nH]nc(C(=O)NCCOCC)c1S(=O)(=O)Cl
InChIInChI=1S/C11H18ClN3O4S/c1-3-5-8-10(20(12,17)18)9(15-14-8)11(16)13-6-7-19-4-2/h3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyMIUFCONKCCTJKS-UHFFFAOYSA-N
MW323.80 g/mol
LogP1.06
Rot. Bonds8

About 3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride

3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65371335) has the molecular formula C11H18ClN3O4S and a molecular weight of 323.80 g/mol. Its IUPAC name is 3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
PubChem CID65371335
Molecular FormulaC11H18ClN3O4S
Molecular Weight323.80 g/mol
Exact Mass323.07
IUPAC Name3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCCc1[nH]nc(C(=O)NCCOCC)c1S(=O)(=O)Cl
InChIInChI=1S/C11H18ClN3O4S/c1-3-5-8-10(20(12,17)18)9(15-14-8)11(16)13-6-7-19-4-2/h3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyMIUFCONKCCTJKS-UHFFFAOYSA-N
XLogP1.06
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 51.06
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

N-(2-ethoxyethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386835
4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62076097
3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 113304100
3-(2,2-dimethylbutylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 103465535
N-(2-ethoxyethyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387027
3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 104766638
3-(2,3-dimethylbutylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65396132
4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55034163
4-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62498759
3-(butan-2-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65368759
3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367058
3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 80715856

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride (CID 65371335) is 3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride is CCCc1[nH]nc(C(=O)NCCOCC)c1S(=O)(=O)Cl.
What is the InChIKey of 3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is MIUFCONKCCTJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O4S/c1-3-5-8-10(20(12,17)18)9(15-14-8)11(16)13-6-7-19-4-2/h3-7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 323.80 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65371335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).