5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide

C11H18N4O4S — CID 115621420

IUPAC5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C11H18N4O4S/c1-9-10(8-12-14-9)20(17,18)13-3-2-11(16)15-4-6-19-7-5-15/h8,13H,2-7H2,1H3,(H,12,14)
InChIKeyABSWZXRRACMIKH-UHFFFAOYSA-N
MW302.36 g/mol
LogP-0.75
Rot. Bonds5

About 5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 115621420) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide
PubChem CID115621420
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C11H18N4O4S/c1-9-10(8-12-14-9)20(17,18)13-3-2-11(16)15-4-6-19-7-5-15/h8,13H,2-7H2,1H3,(H,12,14)
InChIKeyABSWZXRRACMIKH-UHFFFAOYSA-N
XLogP-0.75
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholine
CID 60910831
1-(difluoromethyl)-5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide
CID 95850065
4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine
CID 171315820
N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide
CID 47372172
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 47470284
N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 54876474
2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-propylacetamide
CID 54876590
N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]acetamide
CID 54877037
N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide
CID 54877080
N,N-diethyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetamide
CID 54877110
N-(2-methoxyethyl)-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetamide
CID 54877111
N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54880180

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide (CID 115621420) is 5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCCC(=O)N1CCOCC1.
What is the InChIKey of 5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ABSWZXRRACMIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-9-10(8-12-14-9)20(17,18)13-3-2-11(16)15-4-6-19-7-5-15/h8,13H,2-7H2,1H3,(H,12,14).
What are the key properties of 5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115621420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).