(2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide

C18H23N3O3 — CID 99875820

IUPAC(2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C18H23N3O3/c1-14(24-17-5-3-2-4-6-17)18(22)20-16-11-19-21(13-16)12-15-7-9-23-10-8-15/h2-6,11,13-15H,7-10,12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyWMTFKZGWXGYOPY-AWEZNQCLSA-N
MW329.40 g/mol
LogP2.72
Rot. Bonds6

About (2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide

(2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide (PubChem CID 99875820) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide
PubChem CID99875820
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C18H23N3O3/c1-14(24-17-5-3-2-4-6-17)18(22)20-16-11-19-21(13-16)12-15-7-9-23-10-8-15/h2-6,11,13-15H,7-10,12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyWMTFKZGWXGYOPY-AWEZNQCLSA-N
XLogP2.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide (CID 99875820) is (2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)Nc1cnn(CC2CCOCC2)c1.
What is the InChIKey of (2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide?
The InChIKey is WMTFKZGWXGYOPY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14(24-17-5-3-2-4-6-17)18(22)20-16-11-19-21(13-16)12-15-7-9-23-10-8-15/h2-6,11,13-15H,7-10,12H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide?
(2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide has a molecular weight of 329.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-phenoxypropanamide is sourced from PubChem (CID 99875820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).