2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C18H21N5O5 — CID 120696737

IUPAC2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1N1CCNC1=O
InChIInChI=1S/C18H21N5O5/c1-18(2,16(25)26)23-10-12(9-20-23)21-15(24)11-4-5-14(28-3)13(8-11)22-7-6-19-17(22)27/h4-5,8-10H,6-7H2,1-3H3,(H,19,27)(H,21,24)(H,25,26)
InChIKeyREEZSZWWCFQYMP-UHFFFAOYSA-N
MW387.40 g/mol
LogP1.49
Rot. Bonds6

About 2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696737) has the molecular formula C18H21N5O5 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696737
Molecular FormulaC18H21N5O5
Molecular Weight387.40 g/mol
Exact Mass387.15
IUPAC Name2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1N1CCNC1=O
InChIInChI=1S/C18H21N5O5/c1-18(2,16(25)26)23-10-12(9-20-23)21-15(24)11-4-5-14(28-3)13(8-11)22-7-6-19-17(22)27/h4-5,8-10H,6-7H2,1-3H3,(H,19,27)(H,21,24)(H,25,26)
InChIKeyREEZSZWWCFQYMP-UHFFFAOYSA-N
XLogP1.49
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid with MolForge

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Related Compounds

2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696743
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119350135
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119351118
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71873314
2-methyl-2-[4-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120697124
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide
CID 86860510
2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697248
2-[4-(1,3-benzodioxole-5-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697282
4-methoxy-N-[6-(4-methylphenyl)-2-pyridinyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 167810018
2-methyl-2-[4-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696194

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696737) is 2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is COc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1N1CCNC1=O.
What is the InChIKey of 2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is REEZSZWWCFQYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O5/c1-18(2,16(25)26)23-10-12(9-20-23)21-15(24)11-4-5-14(28-3)13(8-11)22-7-6-19-17(22)27/h4-5,8-10H,6-7H2,1-3H3,(H,19,27)(H,21,24)(H,25,26).
What are the key properties of 2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 387.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).