3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide

C11H18N4O3 — CID 112536424

IUPAC3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide
SMILESO=C(CCN1CCOCC1)NCc1cc(=O)[nH][nH]1
InChIInChI=1S/C11H18N4O3/c16-10(1-2-15-3-5-18-6-4-15)12-8-9-7-11(17)14-13-9/h7H,1-6,8H2,(H,12,16)(H2,13,14,17)
InChIKeyRQOZPIKZLLITSQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.96
Rot. Bonds5

About 3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide

3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide (PubChem CID 112536424) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide
PubChem CID112536424
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide
SMILESO=C(CCN1CCOCC1)NCc1cc(=O)[nH][nH]1
InChIInChI=1S/C11H18N4O3/c16-10(1-2-15-3-5-18-6-4-15)12-8-9-7-11(17)14-13-9/h7H,1-6,8H2,(H,12,16)(H2,13,14,17)
InChIKeyRQOZPIKZLLITSQ-UHFFFAOYSA-N
XLogP-0.96
TPSA90.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483703
N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483704
2-(3-morpholin-4-ylpropanoylamino)acetic acid
CID 110834638
N-hydroxy-3-morpholin-4-ylpropanamide
CID 131174118
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
N-methyl-3-morpholin-4-ylpropanamide;hydrochloride
CID 45264777
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide
CID 125157433
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78863438
2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 141430312
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138263
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide (CID 112536424) is 3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide is O=C(CCN1CCOCC1)NCc1cc(=O)[nH][nH]1.
What is the InChIKey of 3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide?
The InChIKey is RQOZPIKZLLITSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c16-10(1-2-15-3-5-18-6-4-15)12-8-9-7-11(17)14-13-9/h7H,1-6,8H2,(H,12,16)(H2,13,14,17).
What are the key properties of 3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide?
3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide has a molecular weight of 254.29 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 112536424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).