1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride

C12H20ClN3O2 — CID 90484229

IUPAC1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCc1nn(C)cc1C(=O)CCN1CCOCC1.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-10-11(9-14(2)13-10)12(16)3-4-15-5-7-17-8-6-15;/h9H,3-8H2,1-2H3;1H
InChIKeyHJRDSPIDEMCOTF-UHFFFAOYSA-N
MW273.76 g/mol
LogP1.06
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride

1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 90484229) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
PubChem CID90484229
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCc1nn(C)cc1C(=O)CCN1CCOCC1.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-10-11(9-14(2)13-10)12(16)3-4-15-5-7-17-8-6-15;/h9H,3-8H2,1-2H3;1H
InChIKeyHJRDSPIDEMCOTF-UHFFFAOYSA-N
XLogP1.06
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride (CID 90484229) is 1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride is Cc1nn(C)cc1C(=O)CCN1CCOCC1.Cl.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is HJRDSPIDEMCOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.ClH/c1-10-11(9-14(2)13-10)12(16)3-4-15-5-7-17-8-6-15;/h9H,3-8H2,1-2H3;1H.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride?
1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 90484229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).