2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid

C15H17N3O3 — CID 120696431

IUPAC2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
SMILESCc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1
InChIInChI=1S/C15H17N3O3/c1-10-4-6-11(7-5-10)13(19)17-12-8-16-18(9-12)15(2,3)14(20)21/h4-9H,1-3H3,(H,17,19)(H,20,21)
InChIKeyDXHRUOOQVCHCEC-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.26
Rot. Bonds4

About 2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid (PubChem CID 120696431) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
PubChem CID120696431
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
SMILESCc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1
InChIInChI=1S/C15H17N3O3/c1-10-4-6-11(7-5-10)13(19)17-12-8-16-18(9-12)15(2,3)14(20)21/h4-9H,1-3H3,(H,17,19)(H,20,21)
InChIKeyDXHRUOOQVCHCEC-UHFFFAOYSA-N
XLogP2.26
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-[4-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697747
2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696541
2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696513
2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696220
2-methyl-2-[4-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120697314
2-methyl-2-[4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid
CID 120696625
2-[4-(1,3-benzodioxole-5-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697282
2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696595
2-methyl-2-[4-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696169
2-[4-[(5-bromothiophene-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696576
2-methyl-2-[4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697645

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid (CID 120696431) is 2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid is Cc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1.
What is the InChIKey of 2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid?
The InChIKey is DXHRUOOQVCHCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-4-6-11(7-5-10)13(19)17-12-8-16-18(9-12)15(2,3)14(20)21/h4-9H,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 120696431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).