5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride

C11H16ClN3O4S — CID 82736008

IUPAC5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
SMILESCCc1[nH]nc(C(=O)NC2CCOC2C)c1S(=O)(=O)Cl
InChIInChI=1S/C11H16ClN3O4S/c1-3-7-10(20(12,17)18)9(15-14-7)11(16)13-8-4-5-19-6(8)2/h6,8H,3-5H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyQXOKFCVVWBTXRQ-UHFFFAOYSA-N
MW321.79 g/mol
LogP0.81
Rot. Bonds4

About 5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride

5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride (PubChem CID 82736008) has the molecular formula C11H16ClN3O4S and a molecular weight of 321.79 g/mol. Its IUPAC name is 5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
PubChem CID82736008
Molecular FormulaC11H16ClN3O4S
Molecular Weight321.79 g/mol
Exact Mass321.06
IUPAC Name5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
SMILESCCc1[nH]nc(C(=O)NC2CCOC2C)c1S(=O)(=O)Cl
InChIInChI=1S/C11H16ClN3O4S/c1-3-7-10(20(12,17)18)9(15-14-7)11(16)13-8-4-5-19-6(8)2/h6,8H,3-5H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyQXOKFCVVWBTXRQ-UHFFFAOYSA-N
XLogP0.81
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 114551498
3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 65372466
5-ethyl-3-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 107421001
5-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65396671
5-ethyl-3-(3-ethylpentan-3-ylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65397482
3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367058
5-ethyl-3-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65372389
5-ethyl-N-(oxolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 80715628
5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride
CID 65371213
5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 82735899
oxetan-3-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 102608546
3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 65395863

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride (CID 82736008) is 5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride is CCc1[nH]nc(C(=O)NC2CCOC2C)c1S(=O)(=O)Cl.
What is the InChIKey of 5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is QXOKFCVVWBTXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S/c1-3-7-10(20(12,17)18)9(15-14-7)11(16)13-8-4-5-19-6(8)2/h6,8H,3-5H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 321.79 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82736008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).