(3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid

C16H17N3O4 — CID 125133070

IUPAC(3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H17N3O4/c20-15(18-8-9-23-11-14(18)16(21)22)10-12-2-4-13(5-3-12)19-7-1-6-17-19/h1-7,14H,8-11H2,(H,21,22)/t14-/m0/s1
InChIKeyCDVIMNQRXVOJBM-AWEZNQCLSA-N
MW315.33 g/mol
LogP0.73
Rot. Bonds4

About (3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid

(3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid (PubChem CID 125133070) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is (3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid
PubChem CID125133070
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name(3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H17N3O4/c20-15(18-8-9-23-11-14(18)16(21)22)10-12-2-4-13(5-3-12)19-7-1-6-17-19/h1-7,14H,8-11H2,(H,21,22)/t14-/m0/s1
InChIKeyCDVIMNQRXVOJBM-AWEZNQCLSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid
CID 125133071
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 95581192
(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346
(3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid
CID 125151737
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
4-[4-(pyrazol-1-ylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 119216021
4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
CID 119216821
5-methyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-3-carboxylic acid
CID 122118594
(3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid
CID 91840072
(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid
CID 125152832
1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 51947513
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 124589903

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid (CID 125133070) is (3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid is O=C(O)[C@@H]1COCCN1C(=O)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of (3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is CDVIMNQRXVOJBM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15(18-8-9-23-11-14(18)16(21)22)10-12-2-4-13(5-3-12)19-7-1-6-17-19/h1-7,14H,8-11H2,(H,21,22)/t14-/m0/s1.
What are the key properties of (3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid?
(3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125133070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).