(4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone

C12H19N3O2 — CID 79077309

IUPAC(4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1CN(C)CCO1
InChIInChI=1S/C12H19N3O2/c1-3-6-15-10(4-5-13-15)12(16)11-9-14(2)7-8-17-11/h4-5,11H,3,6-9H2,1-2H3
InChIKeyROIQFAOSDIPQSB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.81
Rot. Bonds4

About (4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone

(4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone (PubChem CID 79077309) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone
PubChem CID79077309
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1CN(C)CCO1
InChIInChI=1S/C12H19N3O2/c1-3-6-15-10(4-5-13-15)12(16)11-9-14(2)7-8-17-11/h4-5,11H,3,6-9H2,1-2H3
InChIKeyROIQFAOSDIPQSB-UHFFFAOYSA-N
XLogP0.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of (4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone (CID 79077309) is (4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for (4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)C1CN(C)CCO1.
What is the InChIKey of (4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone?
The InChIKey is ROIQFAOSDIPQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-6-15-10(4-5-13-15)12(16)11-9-14(2)7-8-17-11/h4-5,11H,3,6-9H2,1-2H3.
What are the key properties of (4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone?
(4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 79077309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).