(2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide

C19H19N3O2 — CID 100819911

IUPAC(2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
SMILESC[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-15(19(23)20-14-16-8-4-2-5-9-16)24-18-12-13-22(21-18)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyCCABSJZTBDJYJF-OAHLLOKOSA-N
MW321.38 g/mol
LogP2.96
Rot. Bonds6

About (2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide

(2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide (PubChem CID 100819911) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
PubChem CID100819911
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
SMILESC[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-15(19(23)20-14-16-8-4-2-5-9-16)24-18-12-13-22(21-18)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyCCABSJZTBDJYJF-OAHLLOKOSA-N
XLogP2.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100828979
(2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100828980
(2R)-N-phenyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819963
2-(1-phenylpyrazol-3-yl)oxy-N-(2-pyridin-2-ylethyl)propanamide
CID 102567154
(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
CID 100829357
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819925
(2S)-N-cyclopentyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819947
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100828981
3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
CID 100819977
(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079007
(2R)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079008
N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138644

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide?
The IUPAC name of (2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide (CID 100819911) is (2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide?
The canonical SMILES for (2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide is C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide?
The InChIKey is CCABSJZTBDJYJF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-15(19(23)20-14-16-8-4-2-5-9-16)24-18-12-13-22(21-18)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide?
(2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide has a molecular weight of 321.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide is sourced from PubChem (CID 100819911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).