3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide

C16H28N4O2 — CID 71689005

IUPAC3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCn1nc(C)c(CCC(=O)NCCN2CCOCC2)c1C
InChIInChI=1S/C16H28N4O2/c1-4-20-14(3)15(13(2)18-20)5-6-16(21)17-7-8-19-9-11-22-12-10-19/h4-12H2,1-3H3,(H,17,21)
InChIKeyYMGHGWFZOVPXDV-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.90
Rot. Bonds7

About 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 71689005) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID71689005
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCn1nc(C)c(CCC(=O)NCCN2CCOCC2)c1C
InChIInChI=1S/C16H28N4O2/c1-4-20-14(3)15(13(2)18-20)5-6-16(21)17-7-8-19-9-11-22-12-10-19/h4-12H2,1-3H3,(H,17,21)
InChIKeyYMGHGWFZOVPXDV-UHFFFAOYSA-N
XLogP0.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161652
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 24619762
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 19525666
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 71689007
N-(3-morpholin-4-ylpropyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 30532438
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 110333564
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 46412900
(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
CID 124843961
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]propanamide
CID 55887219
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 39301978
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 20862990

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide (CID 71689005) is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide is CCn1nc(C)c(CCC(=O)NCCN2CCOCC2)c1C.
What is the InChIKey of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is YMGHGWFZOVPXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-20-14(3)15(13(2)18-20)5-6-16(21)17-7-8-19-9-11-22-12-10-19/h4-12H2,1-3H3,(H,17,21).
What are the key properties of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide?
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 308.43 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 71689005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).