4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide

C12H20N4O4S — CID 83104985

IUPAC4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C12H20N4O4S/c1-3-4-13-12(17)10-8-20-6-5-16(10)21(18,19)11-7-14-15-9(11)2/h7,10H,3-6,8H2,1-2H3,(H,13,17)(H,14,15)
InChIKeySQTRYLPKUGVXLO-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.37
Rot. Bonds5

About 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide

4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide (PubChem CID 83104985) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide
PubChem CID83104985
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C12H20N4O4S/c1-3-4-13-12(17)10-8-20-6-5-16(10)21(18,19)11-7-14-15-9(11)2/h7,10H,3-6,8H2,1-2H3,(H,13,17)(H,14,15)
InChIKeySQTRYLPKUGVXLO-UHFFFAOYSA-N
XLogP-0.37
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide
CID 83096979
4-ethylsulfonyl-N-propylmorpholine-3-carboxamide
CID 83105676
2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid
CID 83106592
4-[(2-amino-3-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide
CID 83096793
4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N-propylmorpholine-3-carboxamide
CID 83099524
4-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylbutanoic acid
CID 83098790
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-(5-amino-3-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 104535679
2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104560
4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 54877045
5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide
CID 115621420
4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 105368068

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide (CID 83104985) is 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1S(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide?
The InChIKey is SQTRYLPKUGVXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-3-4-13-12(17)10-8-20-6-5-16(10)21(18,19)11-7-14-15-9(11)2/h7,10H,3-6,8H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide?
4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83104985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).