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

C11H19N5O4S — CID 83096979

IUPAC4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C11H19N5O4S/c1-2-3-13-11(17)8-7-20-5-4-16(8)21(18,19)9-6-14-15-10(9)12/h6,8H,2-5,7H2,1H3,(H,13,17)(H3,12,14,15)
InChIKeyYSMLHDFMSYJBLU-UHFFFAOYSA-N
MW317.37 g/mol
LogP-1.09
Rot. Bonds5

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

4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide (PubChem CID 83096979) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide
PubChem CID83096979
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC Name4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C11H19N5O4S/c1-2-3-13-11(17)8-7-20-5-4-16(8)21(18,19)9-6-14-15-10(9)12/h6,8H,2-5,7H2,1H3,(H,13,17)(H3,12,14,15)
InChIKeyYSMLHDFMSYJBLU-UHFFFAOYSA-N
XLogP-1.09
TPSA130.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide
CID 83104985
4-ethylsulfonyl-N-propylmorpholine-3-carboxamide
CID 83105676
4-[(2-amino-3-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide
CID 83096793
2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid
CID 83106592
4-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylbutanoic acid
CID 83098790
4-(5-amino-3-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 104535679
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-ethylpiperidine-4-carboxamide
CID 61115622
4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N-propylmorpholine-3-carboxamide
CID 83099524
4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83106227
4-(3-amino-1-propylpyrazol-4-yl)sulfonylmorpholine-3-carboxamide
CID 83093925
4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 83106772

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide (CID 83096979) is 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide?
The InChIKey is YSMLHDFMSYJBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-2-3-13-11(17)8-7-20-5-4-16(8)21(18,19)9-6-14-15-10(9)12/h6,8H,2-5,7H2,1H3,(H,13,17)(H3,12,14,15).
What are the key properties of 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide?
4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide has a molecular weight of 317.37 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83096979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).