3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine

C9H15N3O — CID 71695418

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine
SMILESCc1n[nH]c(C)c1C1COCCN1
InChIInChI=1S/C9H15N3O/c1-6-9(7(2)12-11-6)8-5-13-4-3-10-8/h8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyOOFRPEDNTOJVQY-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.69
Rot. Bonds1

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine

3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine (PubChem CID 71695418) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine
PubChem CID71695418
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine
SMILESCc1n[nH]c(C)c1C1COCCN1
InChIInChI=1S/C9H15N3O/c1-6-9(7(2)12-11-6)8-5-13-4-3-10-8/h8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyOOFRPEDNTOJVQY-UHFFFAOYSA-N
XLogP0.69
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
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)morpholine?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine (CID 71695418) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine is Cc1n[nH]c(C)c1C1COCCN1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine?
The InChIKey is OOFRPEDNTOJVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-9(7(2)12-11-6)8-5-13-4-3-10-8/h8,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine?
3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine has a molecular weight of 181.24 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 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)morpholine is sourced from PubChem (CID 71695418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).