(3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone

C13H21N3O2 — CID 5017609

IUPAC(3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone
SMILESCCCc1c(C)nn(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C13H21N3O2/c1-4-5-12-10(2)14-16(11(12)3)13(17)15-6-8-18-9-7-15/h4-9H2,1-3H3
InChIKeyJDJVHEXTGXPDDS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.75
Rot. Bonds2

About (3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone

(3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone (PubChem CID 5017609) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone
PubChem CID5017609
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone
SMILESCCCc1c(C)nn(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C13H21N3O2/c1-4-5-12-10(2)14-16(11(12)3)13(17)15-6-8-18-9-7-15/h4-9H2,1-3H3
InChIKeyJDJVHEXTGXPDDS-UHFFFAOYSA-N
XLogP1.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone (CID 5017609) is (3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone is CCCc1c(C)nn(C(=O)N2CCOCC2)c1C.
What is the InChIKey of (3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone?
The InChIKey is JDJVHEXTGXPDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-5-12-10(2)14-16(11(12)3)13(17)15-6-8-18-9-7-15/h4-9H2,1-3H3.
What are the key properties of (3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone?
(3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone has a molecular weight of 251.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4-propylpyrazol-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 5017609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).