4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid

C17H20N4O4 — CID 122021186

IUPAC4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)N2CCOC(Cn3cccn3)C2)cc1
InChIInChI=1S/C17H20N4O4/c22-16(23)14-4-2-13(3-5-14)10-18-17(24)20-8-9-25-15(11-20)12-21-7-1-6-19-21/h1-7,15H,8-12H2,(H,18,24)(H,22,23)
InChIKeyFTBHJRQUZDBCHX-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.19
Rot. Bonds5

About 4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid

4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid (PubChem CID 122021186) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
PubChem CID122021186
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)N2CCOC(Cn3cccn3)C2)cc1
InChIInChI=1S/C17H20N4O4/c22-16(23)14-4-2-13(3-5-14)10-18-17(24)20-8-9-25-15(11-20)12-21-7-1-6-19-21/h1-7,15H,8-12H2,(H,18,24)(H,22,23)
InChIKeyFTBHJRQUZDBCHX-UHFFFAOYSA-N
XLogP1.19
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic 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

(2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide
CID 129379201
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
(3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
CID 119881009
4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 122020818
(2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide
CID 94031304
(2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide
CID 97336903
2-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)morpholine-4-carboxamide
CID 75445416
(2R)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 119880996
(2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119881008
2-[4-(2-aminoethoxy)phenyl]-1-[(2R)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 126436592
1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone
CID 42508590
2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide
CID 126841057

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid (CID 122021186) is 4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)N2CCOC(Cn3cccn3)C2)cc1.
What is the InChIKey of 4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid?
The InChIKey is FTBHJRQUZDBCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-16(23)14-4-2-13(3-5-14)10-18-17(24)20-8-9-25-15(11-20)12-21-7-1-6-19-21/h1-7,15H,8-12H2,(H,18,24)(H,22,23).
What are the key properties of 4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid?
4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid has a molecular weight of 344.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 122021186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).