5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride

C10H14ClN3O4S — CID 65371213

IUPAC5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride
SMILESCCc1[nH]nc(C(=O)N2CCOCC2)c1S(=O)(=O)Cl
InChIInChI=1S/C10H14ClN3O4S/c1-2-7-9(19(11,16)17)8(13-12-7)10(15)14-3-5-18-6-4-14/h2-6H2,1H3,(H,12,13)
InChIKeyQSQXQDXUFCPRQV-UHFFFAOYSA-N
MW307.76 g/mol
LogP0.37
Rot. Bonds3

About 5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride

5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65371213) has the molecular formula C10H14ClN3O4S and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride
PubChem CID65371213
Molecular FormulaC10H14ClN3O4S
Molecular Weight307.76 g/mol
Exact Mass307.04
IUPAC Name5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride
SMILESCCc1[nH]nc(C(=O)N2CCOCC2)c1S(=O)(=O)Cl
InChIInChI=1S/C10H14ClN3O4S/c1-2-7-9(19(11,16)17)8(13-12-7)10(15)14-3-5-18-6-4-14/h2-6H2,1H3,(H,12,13)
InChIKeyQSQXQDXUFCPRQV-UHFFFAOYSA-N
XLogP0.37
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65370256
3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367198
oxetan-3-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 102608546
3-(azepane-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65367872
5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 82736008
2-methoxyethyl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 65373730
5-ethyl-3-(3-ethylpentan-3-ylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65397482
3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65367147
5-ethyl-3-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65372389
butyl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 65396345
3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 65372466
5-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65396671

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride (CID 65371213) is 5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride is CCc1[nH]nc(C(=O)N2CCOCC2)c1S(=O)(=O)Cl.
What is the InChIKey of 5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is QSQXQDXUFCPRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4S/c1-2-7-9(19(11,16)17)8(13-12-7)10(15)14-3-5-18-6-4-14/h2-6H2,1H3,(H,12,13).
What are the key properties of 5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride?
5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 307.76 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65371213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).