(4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone

C14H23N3O2 — CID 5102700

IUPAC(4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone
SMILESCCCCc1c(C)nn(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C14H23N3O2/c1-4-5-6-13-11(2)15-17(12(13)3)14(18)16-7-9-19-10-8-16/h4-10H2,1-3H3
InChIKeyJUZCLDWPCSBMSE-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.14
Rot. Bonds3

About (4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone

(4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone (PubChem CID 5102700) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone
PubChem CID5102700
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone
SMILESCCCCc1c(C)nn(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C14H23N3O2/c1-4-5-6-13-11(2)15-17(12(13)3)14(18)16-7-9-19-10-8-16/h4-10H2,1-3H3
InChIKeyJUZCLDWPCSBMSE-UHFFFAOYSA-N
XLogP2.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone (CID 5102700) is (4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone is CCCCc1c(C)nn(C(=O)N2CCOCC2)c1C.
What is the InChIKey of (4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone?
The InChIKey is JUZCLDWPCSBMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-5-6-13-11(2)15-17(12(13)3)14(18)16-7-9-19-10-8-16/h4-10H2,1-3H3.
What are the key properties of (4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone?
(4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone has a molecular weight of 265.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 5102700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).