3-methyl-2-(1H-pyrazol-4-yl)morpholine

C8H13N3O — CID 139343551

IUPAC3-methyl-2-(1H-pyrazol-4-yl)morpholine
SMILESCC1NCCOC1c1cn[nH]c1
InChIInChI=1S/C8H13N3O/c1-6-8(12-3-2-9-6)7-4-10-11-5-7/h4-6,8-9H,2-3H2,1H3,(H,10,11)
InChIKeyDNENKWHFXPHFQR-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.46
Rot. Bonds1

About 3-methyl-2-(1H-pyrazol-4-yl)morpholine

3-methyl-2-(1H-pyrazol-4-yl)morpholine (PubChem CID 139343551) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-methyl-2-(1H-pyrazol-4-yl)morpholine.

Molecular Properties

Compound Name3-methyl-2-(1H-pyrazol-4-yl)morpholine
PubChem CID139343551
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-methyl-2-(1H-pyrazol-4-yl)morpholine
SMILESCC1NCCOC1c1cn[nH]c1
InChIInChI=1S/C8H13N3O/c1-6-8(12-3-2-9-6)7-4-10-11-5-7/h4-6,8-9H,2-3H2,1H3,(H,10,11)
InChIKeyDNENKWHFXPHFQR-UHFFFAOYSA-N
XLogP0.46
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1H-pyrazol-4-yl)morpholine?
The IUPAC name of 3-methyl-2-(1H-pyrazol-4-yl)morpholine (CID 139343551) is 3-methyl-2-(1H-pyrazol-4-yl)morpholine.
What is the SMILES notation for 3-methyl-2-(1H-pyrazol-4-yl)morpholine?
The canonical SMILES for 3-methyl-2-(1H-pyrazol-4-yl)morpholine is CC1NCCOC1c1cn[nH]c1.
What is the InChIKey of 3-methyl-2-(1H-pyrazol-4-yl)morpholine?
The InChIKey is DNENKWHFXPHFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-8(12-3-2-9-6)7-4-10-11-5-7/h4-6,8-9H,2-3H2,1H3,(H,10,11).
What are the key properties of 3-methyl-2-(1H-pyrazol-4-yl)morpholine?
3-methyl-2-(1H-pyrazol-4-yl)morpholine has a molecular weight of 167.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1H-pyrazol-4-yl)morpholine is sourced from PubChem (CID 139343551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).