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

C16H19N3O4 — CID 120524985

IUPAC3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
SMILESCOc1ccc(-n2nc(C(=O)N(C)CCC(=O)O)cc2C)cc1
InChIInChI=1S/C16H19N3O4/c1-11-10-14(16(22)18(2)9-8-15(20)21)17-19(11)12-4-6-13(23-3)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,20,21)
InChIKeyBUMSOAJGCVILOC-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.74
Rot. Bonds6

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

3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid (PubChem CID 120524985) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
PubChem CID120524985
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
SMILESCOc1ccc(-n2nc(C(=O)N(C)CCC(=O)O)cc2C)cc1
InChIInChI=1S/C16H19N3O4/c1-11-10-14(16(22)18(2)9-8-15(20)21)17-19(11)12-4-6-13(23-3)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,20,21)
InChIKeyBUMSOAJGCVILOC-UHFFFAOYSA-N
XLogP1.74
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373057
2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120518700
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide
CID 110373105
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509594
3-[(5-methyl-1-phenylpyrazole-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 119212253
(2S,3S)-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-3-methylpentanoic acid
CID 120517390
3-[[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]-ethylamino]propanoic acid
CID 120516669
4-[[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542009
N,5-dimethyl-N-naphthalen-2-yl-1-phenylpyrazole-3-carboxamide
CID 55757695
[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110373058

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid (CID 120524985) is 3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid is COc1ccc(-n2nc(C(=O)N(C)CCC(=O)O)cc2C)cc1.
What is the InChIKey of 3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid?
The InChIKey is BUMSOAJGCVILOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11-10-14(16(22)18(2)9-8-15(20)21)17-19(11)12-4-6-13(23-3)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid?
3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid has a molecular weight of 317.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 120524985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).