3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid

C14H15N3O3 — CID 117435513

IUPAC3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2N2CCOCC2)n[nH]1
InChIInChI=1S/C14H15N3O3/c18-14(19)12-9-11(15-16-12)10-3-1-2-4-13(10)17-5-7-20-8-6-17/h1-4,9H,5-8H2,(H,15,16)(H,18,19)
InChIKeyOUURMQZMIVHXTR-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.61
Rot. Bonds3

About 3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid

3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117435513) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117435513
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2N2CCOCC2)n[nH]1
InChIInChI=1S/C14H15N3O3/c18-14(19)12-9-11(15-16-12)10-3-1-2-4-13(10)17-5-7-20-8-6-17/h1-4,9H,5-8H2,(H,15,16)(H,18,19)
InChIKeyOUURMQZMIVHXTR-UHFFFAOYSA-N
XLogP1.61
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117470364
3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117492632
3-[2-(3-oxopyrazolidin-1-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117433260
3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117395889
2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 67112516
3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 115111364
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545
3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117439962
3-(2-morpholin-4-ylphenyl)phenol
CID 173316588
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 51317105
3-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1H-pyrazole-5-carboxylic acid
CID 117362233

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid (CID 117435513) is 3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccccc2N2CCOCC2)n[nH]1.
What is the InChIKey of 3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is OUURMQZMIVHXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-14(19)12-9-11(15-16-12)10-3-1-2-4-13(10)17-5-7-20-8-6-17/h1-4,9H,5-8H2,(H,15,16)(H,18,19).
What are the key properties of 3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117435513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).