3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde

C18H24N4O2 — CID 86625826

IUPAC3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde
SMILESCC(C)(C)c1cc(N)n(-c2ccc(C3COCCN3C=O)cc2)n1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)16-10-17(19)22(20-16)14-6-4-13(5-7-14)15-11-24-9-8-21(15)12-23/h4-7,10,12,15H,8-9,11,19H2,1-3H3
InChIKeyHBLGPOWIDHIGGS-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.28
Rot. Bonds3

About 3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde

3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde (PubChem CID 86625826) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde.

Molecular Properties

Compound Name3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde
PubChem CID86625826
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde
SMILESCC(C)(C)c1cc(N)n(-c2ccc(C3COCCN3C=O)cc2)n1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)16-10-17(19)22(20-16)14-6-4-13(5-7-14)15-11-24-9-8-21(15)12-23/h4-7,10,12,15H,8-9,11,19H2,1-3H3
InChIKeyHBLGPOWIDHIGGS-UHFFFAOYSA-N
XLogP2.28
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde?
The IUPAC name of 3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde (CID 86625826) is 3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde.
What is the SMILES notation for 3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde?
The canonical SMILES for 3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde is CC(C)(C)c1cc(N)n(-c2ccc(C3COCCN3C=O)cc2)n1.
What is the InChIKey of 3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde?
The InChIKey is HBLGPOWIDHIGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(2,3)16-10-17(19)22(20-16)14-6-4-13(5-7-14)15-11-24-9-8-21(15)12-23/h4-7,10,12,15H,8-9,11,19H2,1-3H3.
What are the key properties of 3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde?
3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde has a molecular weight of 328.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde is sourced from PubChem (CID 86625826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).