4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide

C15H24N4O3 — CID 110268310

IUPAC4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide
SMILESCc1cc(C)n(CCCC(=O)N2CCOC(C)(C(N)=O)C2)n1
InChIInChI=1S/C15H24N4O3/c1-11-9-12(2)19(17-11)6-4-5-13(20)18-7-8-22-15(3,10-18)14(16)21/h9H,4-8,10H2,1-3H3,(H2,16,21)
InChIKeySOFFXBALDJOEKF-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.38
Rot. Bonds5

About 4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide

4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide (PubChem CID 110268310) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide
PubChem CID110268310
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide
SMILESCc1cc(C)n(CCCC(=O)N2CCOC(C)(C(N)=O)C2)n1
InChIInChI=1S/C15H24N4O3/c1-11-9-12(2)19(17-11)6-4-5-13(20)18-7-8-22-15(3,10-18)14(16)21/h9H,4-8,10H2,1-3H3,(H2,16,21)
InChIKeySOFFXBALDJOEKF-UHFFFAOYSA-N
XLogP0.38
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]butan-1-one
CID 110156857
4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 124995877
4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide
CID 110268223
8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776689
(2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide
CID 92632600
4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 56887679
1,4-bis(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102166636
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 124968411
2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide
CID 127247698
4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124983863
4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one
CID 124974362
4-(3,5-dimethylpyrazol-1-yl)-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]butan-1-one
CID 110108127

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide?
The IUPAC name of 4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide (CID 110268310) is 4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide is Cc1cc(C)n(CCCC(=O)N2CCOC(C)(C(N)=O)C2)n1.
What is the InChIKey of 4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide?
The InChIKey is SOFFXBALDJOEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11-9-12(2)19(17-11)6-4-5-13(20)18-7-8-22-15(3,10-18)14(16)21/h9H,4-8,10H2,1-3H3,(H2,16,21).
What are the key properties of 4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide?
4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 110268310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).