N-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide

C18H21N3O3 — CID 71810143

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C18H21N3O3/c22-17(14-4-2-1-3-5-14)6-7-18(23)20-15-12-19-21(13-15)16-8-10-24-11-9-16/h1-5,12-13,16H,6-11H2,(H,20,23)
InChIKeyGLFCCAOMIKQXNX-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.84
Rot. Bonds6

About N-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide

N-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide (PubChem CID 71810143) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
PubChem CID71810143
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C18H21N3O3/c22-17(14-4-2-1-3-5-14)6-7-18(23)20-15-12-19-21(13-15)16-8-10-24-11-9-16/h1-5,12-13,16H,6-11H2,(H,20,23)
InChIKeyGLFCCAOMIKQXNX-UHFFFAOYSA-N
XLogP2.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide (CID 71810143) is N-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide?
The InChIKey is GLFCCAOMIKQXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17(14-4-2-1-3-5-14)6-7-18(23)20-15-12-19-21(13-15)16-8-10-24-11-9-16/h1-5,12-13,16H,6-11H2,(H,20,23).
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide has a molecular weight of 327.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 71810143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).