morpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone

C11H17N3O2 — CID 4768939

IUPACmorpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCOCC1
InChIInChI=1S/C11H17N3O2/c1-8-10(9(2)13(3)12-8)11(15)14-4-6-16-7-5-14/h4-7H2,1-3H3
InChIKeyNALAJQSFTJFJTA-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.51
Rot. Bonds1

About morpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone

morpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 4768939) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is morpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID4768939
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemorpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCOCC1
InChIInChI=1S/C11H17N3O2/c1-8-10(9(2)13(3)12-8)11(15)14-4-6-16-7-5-14/h4-7H2,1-3H3
InChIKeyNALAJQSFTJFJTA-UHFFFAOYSA-N
XLogP0.51
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of morpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 4768939) is morpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for morpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is NALAJQSFTJFJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-10(9(2)13(3)12-8)11(15)14-4-6-16-7-5-14/h4-7H2,1-3H3.
What are the key properties of morpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
morpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 4768939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).