3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride

C11H16ClN3O4S — CID 80715856

IUPAC3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCCc1[nH]nc(C(=O)NC2CCOC2)c1S(=O)(=O)Cl
InChIInChI=1S/C11H16ClN3O4S/c1-2-3-8-10(20(12,17)18)9(15-14-8)11(16)13-7-4-5-19-6-7/h7H,2-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyRRVVWADOVDJILQ-UHFFFAOYSA-N
MW321.79 g/mol
LogP0.81
Rot. Bonds5

About 3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride

3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 80715856) has the molecular formula C11H16ClN3O4S and a molecular weight of 321.79 g/mol. Its IUPAC name is 3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
PubChem CID80715856
Molecular FormulaC11H16ClN3O4S
Molecular Weight321.79 g/mol
Exact Mass321.06
IUPAC Name3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCCc1[nH]nc(C(=O)NC2CCOC2)c1S(=O)(=O)Cl
InChIInChI=1S/C11H16ClN3O4S/c1-2-3-8-10(20(12,17)18)9(15-14-8)11(16)13-7-4-5-19-6-7/h7H,2-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyRRVVWADOVDJILQ-UHFFFAOYSA-N
XLogP0.81
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367058
5-ethyl-N-(oxolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 80715628
5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 114551498
oxetan-3-yl 4-chlorosulfonyl-5-propyl-1H-pyrazole-3-carboxylate
CID 102608587
5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 82736008
3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65371335
3-(butan-2-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65368759
3-(2,2-dimethylbutylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 103465535
3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 113304100
3-(2,3-dimethylbutylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65396132
3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 104766638
oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65381502

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride (CID 80715856) is 3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride is CCCc1[nH]nc(C(=O)NC2CCOC2)c1S(=O)(=O)Cl.
What is the InChIKey of 3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is RRVVWADOVDJILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S/c1-2-3-8-10(20(12,17)18)9(15-14-8)11(16)13-7-4-5-19-6-7/h7H,2-6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 321.79 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 80715856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).