(2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid

C16H17N3O5 — CID 136584971

IUPAC(2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid
SMILESC[C@@H]1CN(C(=O)c2cc(-c3ccccc3O)n[nH]2)C[C@@H](C(=O)O)O1
InChIInChI=1S/C16H17N3O5/c1-9-7-19(8-14(24-9)16(22)23)15(21)12-6-11(17-18-12)10-4-2-3-5-13(10)20/h2-6,9,14,20H,7-8H2,1H3,(H,17,18)(H,22,23)/t9-,14+/m1/s1
InChIKeyBFWAPPHIVOGYBW-OTYXRUKQSA-N
MW331.33 g/mol
LogP1.10
Rot. Bonds3

About (2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid

(2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid (PubChem CID 136584971) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is (2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid
PubChem CID136584971
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name(2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid
SMILESC[C@@H]1CN(C(=O)c2cc(-c3ccccc3O)n[nH]2)C[C@@H](C(=O)O)O1
InChIInChI=1S/C16H17N3O5/c1-9-7-19(8-14(24-9)16(22)23)15(21)12-6-11(17-18-12)10-4-2-3-5-13(10)20/h2-6,9,14,20H,7-8H2,1H3,(H,17,18)(H,22,23)/t9-,14+/m1/s1
InChIKeyBFWAPPHIVOGYBW-OTYXRUKQSA-N
XLogP1.10
TPSA115.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-6-methyl-4-(3-methylpyridine-2-carbonyl)morpholine-2-carboxylic acid
CID 120536159
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 166214851
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 165417518
4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid
CID 56908982
(2S)-4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid
CID 95892043
(6R)-6-methyl-4-(2-phenylmethoxypyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 120536224
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(3R,4R)-3-hydroxy-4-(pyrimidin-2-ylamino)piperidin-1-yl]methanone
CID 136988480
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
(6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid
CID 120536036
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
(3S,4S)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120949192

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid?
The IUPAC name of (2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid (CID 136584971) is (2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid.
What is the SMILES notation for (2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid?
The canonical SMILES for (2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid is C[C@@H]1CN(C(=O)c2cc(-c3ccccc3O)n[nH]2)C[C@@H](C(=O)O)O1.
What is the InChIKey of (2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid?
The InChIKey is BFWAPPHIVOGYBW-OTYXRUKQSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-9-7-19(8-14(24-9)16(22)23)15(21)12-6-11(17-18-12)10-4-2-3-5-13(10)20/h2-6,9,14,20H,7-8H2,1H3,(H,17,18)(H,22,23)/t9-,14+/m1/s1.
What are the key properties of (2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid?
(2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[3-(2-hydroxyphenyl)-1H-pyrazole-5-carbonyl]-6-methylmorpholine-2-carboxylic acid is sourced from PubChem (CID 136584971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).