2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid

C16H19N3O4 — CID 119209514

IUPAC2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N(C)C(C)C(=O)O)n1
InChIInChI=1S/C16H19N3O4/c1-10-5-6-14(23-4)13(9-10)19-8-7-12(17-19)15(20)18(3)11(2)16(21)22/h5-9,11H,1-4H3,(H,21,22)
InChIKeyZHXQORGCVKOTFA-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.73
Rot. Bonds5

About 2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid

2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid (PubChem CID 119209514) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid
PubChem CID119209514
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N(C)C(C)C(=O)O)n1
InChIInChI=1S/C16H19N3O4/c1-10-5-6-14(23-4)13(9-10)19-8-7-12(17-19)15(20)18(3)11(2)16(21)22/h5-9,11H,1-4H3,(H,21,22)
InChIKeyZHXQORGCVKOTFA-UHFFFAOYSA-N
XLogP1.73
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 110907831
2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119195396
1-(2-methoxy-5-methylphenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
CID 119430412
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48672285
N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 120648799
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 120948333
N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 48657086
N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 111445526
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide
CID 48652307
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 86848028
N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide
CID 126791869
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48650473

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid (CID 119209514) is 2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid is COc1ccc(C)cc1-n1ccc(C(=O)N(C)C(C)C(=O)O)n1.
What is the InChIKey of 2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid?
The InChIKey is ZHXQORGCVKOTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-5-6-14(23-4)13(9-10)19-8-7-12(17-19)15(20)18(3)11(2)16(21)22/h5-9,11H,1-4H3,(H,21,22).
What are the key properties of 2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid?
2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid has a molecular weight of 317.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119209514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).