5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid

C15H17N3O4 — CID 136966493

IUPAC5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1cc(N2CCOCC2)ccc1O
InChIInChI=1S/C15H17N3O4/c1-17-13(9-12(16-17)15(20)21)11-8-10(2-3-14(11)19)18-4-6-22-7-5-18/h2-3,8-9,19H,4-7H2,1H3,(H,20,21)
InChIKeyGFNVXZPSRCUBSK-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.33
Rot. Bonds3

About 5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid

5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 136966493) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID136966493
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1cc(N2CCOCC2)ccc1O
InChIInChI=1S/C15H17N3O4/c1-17-13(9-12(16-17)15(20)21)11-8-10(2-3-14(11)19)18-4-6-22-7-5-18/h2-3,8-9,19H,4-7H2,1H3,(H,20,21)
InChIKeyGFNVXZPSRCUBSK-UHFFFAOYSA-N
XLogP1.33
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid
CID 112710654
1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid
CID 83853464
5-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 137003457
5-(4,5-difluoro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136942334
5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 62268890
3-(2-hydroxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117380858
5-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-1-methylpyrazole-3-carboxylic acid
CID 135547041
2-(5-amino-1,2-oxazol-3-yl)-4-morpholin-4-ylphenol
CID 136963478
5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998100
5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117468837
methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate
CID 117421323
5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108344

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid (CID 136966493) is 5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1-c1cc(N2CCOCC2)ccc1O.
What is the InChIKey of 5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is GFNVXZPSRCUBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-17-13(9-12(16-17)15(20)21)11-8-10(2-3-14(11)19)18-4-6-22-7-5-18/h2-3,8-9,19H,4-7H2,1H3,(H,20,21).
What are the key properties of 5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid?
5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 136966493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).