2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid

C15H17N3O3 — CID 110114596

IUPAC2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid
SMILESO=C(O)c1ccccc1CN1CCOCC1c1ccn[nH]1
InChIInChI=1S/C15H17N3O3/c19-15(20)12-4-2-1-3-11(12)9-18-7-8-21-10-14(18)13-5-6-16-17-13/h1-6,14H,7-10H2,(H,16,17)(H,19,20)
InChIKeyLYHLOHAJZVOUSL-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.68
Rot. Bonds4

About 2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid

2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid (PubChem CID 110114596) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid
PubChem CID110114596
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid
SMILESO=C(O)c1ccccc1CN1CCOCC1c1ccn[nH]1
InChIInChI=1S/C15H17N3O3/c19-15(20)12-4-2-1-3-11(12)9-18-7-8-21-10-14(18)13-5-6-16-17-13/h1-6,14H,7-10H2,(H,16,17)(H,19,20)
InChIKeyLYHLOHAJZVOUSL-UHFFFAOYSA-N
XLogP1.68
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 110106382
4-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 110106383
2-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 110106384
3-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 118739928
4-fluoro-3-[4-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]benzoic acid
CID 166626222
2-(1H-pyrazol-3-yl)benzoic acid
CID 54494622
2-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]benzoic acid
CID 77097432
3-fluoro-2-(1H-pyrazol-5-yl)benzoic acid
CID 67086609
5-fluoro-2-(1H-pyrazol-5-yl)benzoic acid
CID 67086891
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]benzoic acid
CID 46998750
4,5-difluoro-2-(1H-pyrazol-5-ylmethylcarbamoyl)benzoic acid
CID 65600193
3-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 115111360

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid?
The IUPAC name of 2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid (CID 110114596) is 2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid is O=C(O)c1ccccc1CN1CCOCC1c1ccn[nH]1.
What is the InChIKey of 2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid?
The InChIKey is LYHLOHAJZVOUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-15(20)12-4-2-1-3-11(12)9-18-7-8-21-10-14(18)13-5-6-16-17-13/h1-6,14H,7-10H2,(H,16,17)(H,19,20).
What are the key properties of 2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid?
2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid is sourced from PubChem (CID 110114596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).