2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone

C12H19N3O2 — CID 116586145

IUPAC2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone
SMILESCCCn1cc(C(=O)CC2CNCCO2)cn1
InChIInChI=1S/C12H19N3O2/c1-2-4-15-9-10(7-14-15)12(16)6-11-8-13-3-5-17-11/h7,9,11,13H,2-6,8H2,1H3
InChIKeyYDAFKULGHJMOII-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.85
Rot. Bonds5

About 2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone

2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone (PubChem CID 116586145) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone
PubChem CID116586145
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone
SMILESCCCn1cc(C(=O)CC2CNCCO2)cn1
InChIInChI=1S/C12H19N3O2/c1-2-4-15-9-10(7-14-15)12(16)6-11-8-13-3-5-17-11/h7,9,11,13H,2-6,8H2,1H3
InChIKeyYDAFKULGHJMOII-UHFFFAOYSA-N
XLogP0.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone
CID 114669990
1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone
CID 114669984
1-(1-ethylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564082
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(1-propylpyrazol-4-yl)ethanone
CID 116595366
2-morpholin-2-yl-1-(4-phenylphenyl)ethanone
CID 116586201
2-morpholin-2-yl-1-(3-propylphenyl)ethanone
CID 116586299
1-(4-chlorophenyl)-2-morpholin-2-ylethanone
CID 116586223
1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone
CID 116586217
1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone
CID 116919977
1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one
CID 65164995
4,4,4-trifluoro-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79953421
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-2-ylacetamide
CID 106047283

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone?
The IUPAC name of 2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone (CID 116586145) is 2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone is CCCn1cc(C(=O)CC2CNCCO2)cn1.
What is the InChIKey of 2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone?
The InChIKey is YDAFKULGHJMOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-4-15-9-10(7-14-15)12(16)6-11-8-13-3-5-17-11/h7,9,11,13H,2-6,8H2,1H3.
What are the key properties of 2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone?
2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone has a molecular weight of 237.30 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone is sourced from PubChem (CID 116586145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).