4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid

C16H17N3O4 — CID 119239723

IUPAC4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C(c2ccccc2)n2cccn2)CCO1
InChIInChI=1S/C16H17N3O4/c20-15(18-9-10-23-13(11-18)16(21)22)14(19-8-4-7-17-19)12-5-2-1-3-6-12/h1-8,13-14H,9-11H2,(H,21,22)
InChIKeyQVTBDPDJZZDAOT-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.78
Rot. Bonds4

About 4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid

4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid (PubChem CID 119239723) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid
PubChem CID119239723
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C(c2ccccc2)n2cccn2)CCO1
InChIInChI=1S/C16H17N3O4/c20-15(18-9-10-23-13(11-18)16(21)22)14(19-8-4-7-17-19)12-5-2-1-3-6-12/h1-8,13-14H,9-11H2,(H,21,22)
InChIKeyQVTBDPDJZZDAOT-UHFFFAOYSA-N
XLogP0.78
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-1-[(2R)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxylate
CID 95383565
4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
CID 119168463
4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid
CID 122146208
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid
CID 104984264
(2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 125153617
(2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 96558413
4-(4,4,4-trifluoro-3-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119238821
(2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
CID 124688847
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641
4-(2-methoxy-2-phenylacetyl)morpholine-2-carboxamide
CID 49417402
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid
CID 66394346

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid (CID 119239723) is 4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)C(c2ccccc2)n2cccn2)CCO1.
What is the InChIKey of 4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid?
The InChIKey is QVTBDPDJZZDAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15(18-9-10-23-13(11-18)16(21)22)14(19-8-4-7-17-19)12-5-2-1-3-6-12/h1-8,13-14H,9-11H2,(H,21,22).
What are the key properties of 4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid?
4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).