4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine

C10H17N3O — CID 174853998

IUPAC4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine
SMILESCCc1cc(CN2CCOCC2)[nH]n1
InChIInChI=1S/C10H17N3O/c1-2-9-7-10(12-11-9)8-13-3-5-14-6-4-13/h7H,2-6,8H2,1H3,(H,11,12)
InChIKeyMKLJRIOKQJXBKH-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.80
Rot. Bonds3

About 4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine

4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine (PubChem CID 174853998) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine
PubChem CID174853998
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine
SMILESCCc1cc(CN2CCOCC2)[nH]n1
InChIInChI=1S/C10H17N3O/c1-2-9-7-10(12-11-9)8-13-3-5-14-6-4-13/h7H,2-6,8H2,1H3,(H,11,12)
InChIKeyMKLJRIOKQJXBKH-UHFFFAOYSA-N
XLogP0.80
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine?
The IUPAC name of 4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine (CID 174853998) is 4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine is CCc1cc(CN2CCOCC2)[nH]n1.
What is the InChIKey of 4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine?
The InChIKey is MKLJRIOKQJXBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-9-7-10(12-11-9)8-13-3-5-14-6-4-13/h7H,2-6,8H2,1H3,(H,11,12).
What are the key properties of 4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine?
4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine has a molecular weight of 195.27 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine is sourced from PubChem (CID 174853998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).