4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide

C13H20N4O3 — CID 49416745

IUPAC4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide
SMILESCc1cc(C)n(C(C)C(=O)N2CCOC(C(N)=O)C2)n1
InChIInChI=1S/C13H20N4O3/c1-8-6-9(2)17(15-8)10(3)13(19)16-4-5-20-11(7-16)12(14)18/h6,10-11H,4-5,7H2,1-3H3,(H2,14,18)
InChIKeyLGSXAIQPKGKGBS-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.23
Rot. Bonds3

About 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide

4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide (PubChem CID 49416745) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide
PubChem CID49416745
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide
SMILESCc1cc(C)n(C(C)C(=O)N2CCOC(C(N)=O)C2)n1
InChIInChI=1S/C13H20N4O3/c1-8-6-9(2)17(15-8)10(3)13(19)16-4-5-20-11(7-16)12(14)18/h6,10-11H,4-5,7H2,1-3H3,(H2,14,18)
InChIKeyLGSXAIQPKGKGBS-UHFFFAOYSA-N
XLogP-0.23
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124610502
2-(3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110906659
(2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide
CID 124591529
4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
CID 56785284
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 86285634
2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 47986482
4-(2,5-dimethylpyrazole-3-carbonyl)morpholine-2-carbothioamide
CID 79674499
(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
CID 95905565
2-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 47988003
4-(2-methoxy-2-phenylacetyl)morpholine-2-carboxamide
CID 49417402
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 72925619
1-[2-(azepane-1-carbonyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 110246407

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide?
The IUPAC name of 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide (CID 49416745) is 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide is Cc1cc(C)n(C(C)C(=O)N2CCOC(C(N)=O)C2)n1.
What is the InChIKey of 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide?
The InChIKey is LGSXAIQPKGKGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-6-9(2)17(15-8)10(3)13(19)16-4-5-20-11(7-16)12(14)18/h6,10-11H,4-5,7H2,1-3H3,(H2,14,18).
What are the key properties of 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide?
4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide is sourced from PubChem (CID 49416745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).