2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C16H19N3O4 — CID 120696342

IUPAC2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCOCc1ccccc1C(=O)Nc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C16H19N3O4/c1-16(2,15(21)22)19-9-12(8-17-19)18-14(20)13-7-5-4-6-11(13)10-23-3/h4-9H,10H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyDJXYMDFUQVHIBH-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.10
Rot. Bonds6

About 2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696342) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696342
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCOCc1ccccc1C(=O)Nc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C16H19N3O4/c1-16(2,15(21)22)19-9-12(8-17-19)18-14(20)13-7-5-4-6-11(13)10-23-3/h4-9H,10H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyDJXYMDFUQVHIBH-UHFFFAOYSA-N
XLogP2.10
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696985
2-[4-[(2-methoxy-2-phenylpropanoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696536
2-[4-[[2-(2-methoxyethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696437
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-[4-[[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696380
2-methyl-2-[4-[[(2S)-2-phenylpropanoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696756
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
6-[[2-(methoxymethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 61317359
2-methyl-2-[4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid
CID 120696625
2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120697175
2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696464
2-[4-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697747

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696342) is 2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is COCc1ccccc1C(=O)Nc1cnn(C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is DJXYMDFUQVHIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-16(2,15(21)22)19-9-12(8-17-19)18-14(20)13-7-5-4-6-11(13)10-23-3/h4-9H,10H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 317.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).