3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one

C12H19N3O2 — CID 86768163

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one
SMILESCc1n[nH]c(C)c1CCC(=O)N1CCOCC1
InChIInChI=1S/C12H19N3O2/c1-9-11(10(2)14-13-9)3-4-12(16)15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,14)
InChIKeyPIEYNIBALKCKJW-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.82
Rot. Bonds3

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 86768163) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID86768163
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one
SMILESCc1n[nH]c(C)c1CCC(=O)N1CCOCC1
InChIInChI=1S/C12H19N3O2/c1-9-11(10(2)14-13-9)3-4-12(16)15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,14)
InChIKeyPIEYNIBALKCKJW-UHFFFAOYSA-N
XLogP0.82
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one (CID 86768163) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one is Cc1n[nH]c(C)c1CCC(=O)N1CCOCC1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is PIEYNIBALKCKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-11(10(2)14-13-9)3-4-12(16)15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 237.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 86768163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).