2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid

C20H27N3O5 — CID 120533637

IUPAC2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCOc1ccc(-n2nc(C(=O)NC(CCOC(C)(C)C)C(=O)O)cc2C)cc1
InChIInChI=1S/C20H27N3O5/c1-13-12-17(22-23(13)14-6-8-15(27-5)9-7-14)18(24)21-16(19(25)26)10-11-28-20(2,3)4/h6-9,12,16H,10-11H2,1-5H3,(H,21,24)(H,25,26)
InChIKeyTUJFHWAVJCIPEJ-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.58
Rot. Bonds8

About 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid

2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 120533637) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID120533637
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCOc1ccc(-n2nc(C(=O)NC(CCOC(C)(C)C)C(=O)O)cc2C)cc1
InChIInChI=1S/C20H27N3O5/c1-13-12-17(22-23(13)14-6-8-15(27-5)9-7-14)18(24)21-16(19(25)26)10-11-28-20(2,3)4/h6-9,12,16H,10-11H2,1-5H3,(H,21,24)(H,25,26)
InChIKeyTUJFHWAVJCIPEJ-UHFFFAOYSA-N
XLogP2.58
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid with MolForge

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Related Compounds

(2S,3S)-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-3-methylpentanoic acid
CID 120517390
2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid
CID 120521108
2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533722
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533619
4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid
CID 120703120
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide
CID 110373105
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
3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120524985
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 120533637) is 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid is COc1ccc(-n2nc(C(=O)NC(CCOC(C)(C)C)C(=O)O)cc2C)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is TUJFHWAVJCIPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-13-12-17(22-23(13)14-6-8-15(27-5)9-7-14)18(24)21-16(19(25)26)10-11-28-20(2,3)4/h6-9,12,16H,10-11H2,1-5H3,(H,21,24)(H,25,26).
What are the key properties of 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 389.45 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 120533637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).