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

C14H17N3O — CID 53015292

IUPAC4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine
SMILESc1ccc(-c2cc(CN3CCOCC3)[nH]n2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)14-10-13(15-16-14)11-17-6-8-18-9-7-17/h1-5,10H,6-9,11H2,(H,15,16)
InChIKeyKUDFABOEWXMBKT-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.91
Rot. Bonds3

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

4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine (PubChem CID 53015292) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine
PubChem CID53015292
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine
SMILESc1ccc(-c2cc(CN3CCOCC3)[nH]n2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)14-10-13(15-16-14)11-17-6-8-18-9-7-17/h1-5,10H,6-9,11H2,(H,15,16)
InChIKeyKUDFABOEWXMBKT-UHFFFAOYSA-N
XLogP1.91
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine?
The IUPAC name of 4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine (CID 53015292) is 4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine is c1ccc(-c2cc(CN3CCOCC3)[nH]n2)cc1.
What is the InChIKey of 4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine?
The InChIKey is KUDFABOEWXMBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)14-10-13(15-16-14)11-17-6-8-18-9-7-17/h1-5,10H,6-9,11H2,(H,15,16).
What are the key properties of 4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine?
4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine has a molecular weight of 243.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine is sourced from PubChem (CID 53015292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).