4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine

C18H18N4O — CID 174700479

IUPAC4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine
SMILESc1ccc(-n2nccc2-c2ccncc2)c(N2CCOCC2)c1
InChIInChI=1S/C18H18N4O/c1-2-4-18(17(3-1)21-11-13-23-14-12-21)22-16(7-10-20-22)15-5-8-19-9-6-15/h1-10H,11-14H2
InChIKeyUSVSGVOIVFEIEP-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.77
Rot. Bonds3

About 4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine

4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine (PubChem CID 174700479) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine
PubChem CID174700479
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine
SMILESc1ccc(-n2nccc2-c2ccncc2)c(N2CCOCC2)c1
InChIInChI=1S/C18H18N4O/c1-2-4-18(17(3-1)21-11-13-23-14-12-21)22-16(7-10-20-22)15-5-8-19-9-6-15/h1-10H,11-14H2
InChIKeyUSVSGVOIVFEIEP-UHFFFAOYSA-N
XLogP2.77
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine?
The IUPAC name of 4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine (CID 174700479) is 4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine.
What is the SMILES notation for 4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine?
The canonical SMILES for 4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine is c1ccc(-n2nccc2-c2ccncc2)c(N2CCOCC2)c1.
What is the InChIKey of 4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine?
The InChIKey is USVSGVOIVFEIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-2-4-18(17(3-1)21-11-13-23-14-12-21)22-16(7-10-20-22)15-5-8-19-9-6-15/h1-10H,11-14H2.
What are the key properties of 4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine?
4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine has a molecular weight of 306.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine is sourced from PubChem (CID 174700479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).