2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid

C17H21N3O4 — CID 120518700

IUPAC2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(-n2nc(C(=O)N(C)C(C)(C)C(=O)O)cc2C)cc1
InChIInChI=1S/C17H21N3O4/c1-11-10-14(15(21)19(4)17(2,3)16(22)23)18-20(11)12-6-8-13(24-5)9-7-12/h6-10H,1-5H3,(H,22,23)
InChIKeyZATGRFTWTXXODZ-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.12
Rot. Bonds5

About 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid

2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid (PubChem CID 120518700) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
PubChem CID120518700
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(-n2nc(C(=O)N(C)C(C)(C)C(=O)O)cc2C)cc1
InChIInChI=1S/C17H21N3O4/c1-11-10-14(15(21)19(4)17(2,3)16(22)23)18-20(11)12-6-8-13(24-5)9-7-12/h6-10H,1-5H3,(H,22,23)
InChIKeyZATGRFTWTXXODZ-UHFFFAOYSA-N
XLogP2.12
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120524985
N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373057
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118
[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110373058
1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide
CID 110373105
2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533637
N,5-dimethyl-N-naphthalen-2-yl-1-phenylpyrazole-3-carboxamide
CID 55757695
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid
CID 120521108
(2S,3S)-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-3-methylpentanoic acid
CID 120517390
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid (CID 120518700) is 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid is COc1ccc(-n2nc(C(=O)N(C)C(C)(C)C(=O)O)cc2C)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is ZATGRFTWTXXODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-10-14(15(21)19(4)17(2,3)16(22)23)18-20(11)12-6-8-13(24-5)9-7-12/h6-10H,1-5H3,(H,22,23).
What are the key properties of 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid?
2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 331.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 120518700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).