3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid

C19H23N3O4 — CID 122109131

IUPAC3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid
SMILESCc1cc(C(=O)NCC(C(=O)O)C2CCOCC2)ccc1-n1cccn1
InChIInChI=1S/C19H23N3O4/c1-13-11-15(3-4-17(13)22-8-2-7-21-22)18(23)20-12-16(19(24)25)14-5-9-26-10-6-14/h2-4,7-8,11,14,16H,5-6,9-10,12H2,1H3,(H,20,23)(H,24,25)
InChIKeyMOPIZTZCPFBVFB-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.04
Rot. Bonds6

About 3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid

3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid (PubChem CID 122109131) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid.

Molecular Properties

Compound Name3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid
PubChem CID122109131
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid
SMILESCc1cc(C(=O)NCC(C(=O)O)C2CCOCC2)ccc1-n1cccn1
InChIInChI=1S/C19H23N3O4/c1-13-11-15(3-4-17(13)22-8-2-7-21-22)18(23)20-12-16(19(24)25)14-5-9-26-10-6-14/h2-4,7-8,11,14,16H,5-6,9-10,12H2,1H3,(H,20,23)(H,24,25)
InChIKeyMOPIZTZCPFBVFB-UHFFFAOYSA-N
XLogP2.04
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid with MolForge

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Related Compounds

4-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]oxane-4-carboxylic acid
CID 122109146
6-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]hexanoic acid
CID 122107628
N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide
CID 164642958
3-[2-methylpropyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 122107272
N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71991149
(2R)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467866
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 122107177
4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide
CID 46968974
[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone
CID 129347528
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122106979
6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122112680
N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 70725146

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid?
The IUPAC name of 3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid (CID 122109131) is 3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid.
What is the SMILES notation for 3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid?
The canonical SMILES for 3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid is Cc1cc(C(=O)NCC(C(=O)O)C2CCOCC2)ccc1-n1cccn1.
What is the InChIKey of 3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid?
The InChIKey is MOPIZTZCPFBVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-11-15(3-4-17(13)22-8-2-7-21-22)18(23)20-12-16(19(24)25)14-5-9-26-10-6-14/h2-4,7-8,11,14,16H,5-6,9-10,12H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid?
3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid has a molecular weight of 357.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid is sourced from PubChem (CID 122109131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).