1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one

C15H25N3O3 — CID 114641103

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCCCn1ncc(OC)c1C(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-5-6-18-13(12(20-4)11-16-18)14(19)15(2,3)17-7-9-21-10-8-17/h11H,5-10H2,1-4H3
InChIKeyKVCGXGWKPPHVRU-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.60
Rot. Bonds6

About 1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one

1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 114641103) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID114641103
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCCCn1ncc(OC)c1C(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-5-6-18-13(12(20-4)11-16-18)14(19)15(2,3)17-7-9-21-10-8-17/h11H,5-10H2,1-4H3
InChIKeyKVCGXGWKPPHVRU-UHFFFAOYSA-N
XLogP1.60
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one (CID 114641103) is 1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one is CCCn1ncc(OC)c1C(=O)C(C)(C)N1CCOCC1.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is KVCGXGWKPPHVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-6-18-13(12(20-4)11-16-18)14(19)15(2,3)17-7-9-21-10-8-17/h11H,5-10H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 295.38 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 114641103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).