4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine

C16H21N3O — CID 11694700

IUPAC4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine
SMILESCC(C)c1cc(N2CCOCC2)nn1-c1ccccc1
InChIInChI=1S/C16H21N3O/c1-13(2)15-12-16(18-8-10-20-11-9-18)17-19(15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyNWPQFPYUPQFUSI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.83
Rot. Bonds3

About 4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine

4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine (PubChem CID 11694700) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine
PubChem CID11694700
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine
SMILESCC(C)c1cc(N2CCOCC2)nn1-c1ccccc1
InChIInChI=1S/C16H21N3O/c1-13(2)15-12-16(18-8-10-20-11-9-18)17-19(15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyNWPQFPYUPQFUSI-UHFFFAOYSA-N
XLogP2.83
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 519787
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CID 39242818
ethane;4-(6-propan-2-yl-2-pyridinyl)morpholine
CID 177361862
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690
4-morpholin-4-yl-2-propan-2-ylaniline
CID 91671939
1,1'-biphenyl;ethane;4-phenylmorpholine;toluene
CID 158356993
6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851592
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione
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1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine
CID 114705855

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine?
The IUPAC name of 4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine (CID 11694700) is 4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine.
What is the SMILES notation for 4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine?
The canonical SMILES for 4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine is CC(C)c1cc(N2CCOCC2)nn1-c1ccccc1.
What is the InChIKey of 4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine?
The InChIKey is NWPQFPYUPQFUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13(2)15-12-16(18-8-10-20-11-9-18)17-19(15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine?
4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine has a molecular weight of 271.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine is sourced from PubChem (CID 11694700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).