3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride

C11H16ClN3O4S — CID 65370256

IUPAC3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
SMILESCC(C)c1[nH]nc(C(=O)N2CCOCC2)c1S(=O)(=O)Cl
InChIInChI=1S/C11H16ClN3O4S/c1-7(2)8-10(20(12,17)18)9(14-13-8)11(16)15-3-5-19-6-4-15/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyIKAPCTKTZAJHBL-UHFFFAOYSA-N
MW321.79 g/mol
LogP0.93
Rot. Bonds3

About 3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride

3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65370256) has the molecular formula C11H16ClN3O4S and a molecular weight of 321.79 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
PubChem CID65370256
Molecular FormulaC11H16ClN3O4S
Molecular Weight321.79 g/mol
Exact Mass321.06
IUPAC Name3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
SMILESCC(C)c1[nH]nc(C(=O)N2CCOCC2)c1S(=O)(=O)Cl
InChIInChI=1S/C11H16ClN3O4S/c1-7(2)8-10(20(12,17)18)9(14-13-8)11(16)15-3-5-19-6-4-15/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyIKAPCTKTZAJHBL-UHFFFAOYSA-N
XLogP0.93
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65367147
5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride
CID 65371213
3-(azepane-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65367872
3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367198
3-(diethylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65368456
3-[(2,2-dimethylcyclopropyl)carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65397766
3-(2,3-dimethylbutylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65395941
4-amino-N-morpholin-4-yl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 83012582
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
3-(3-methoxypropylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65368308
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 146115592
hexyl 4-chlorosulfonyl-5-propan-2-yl-1H-pyrazole-3-carboxylate
CID 65374508

Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride (CID 65370256) is 3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride is CC(C)c1[nH]nc(C(=O)N2CCOCC2)c1S(=O)(=O)Cl.
What is the InChIKey of 3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is IKAPCTKTZAJHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S/c1-7(2)8-10(20(12,17)18)9(14-13-8)11(16)15-3-5-19-6-4-15/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride?
3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 321.79 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65370256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).