2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

C18H23N3O3 — CID 120696583

IUPAC2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C)c1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1
InChIInChI=1S/C18H23N3O3/c1-17(2,3)13-8-6-12(7-9-13)15(22)20-14-10-19-21(11-14)18(4,5)16(23)24/h6-11H,1-5H3,(H,20,22)(H,23,24)
InChIKeyBVMXUAAGMMADGC-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.25
Rot. Bonds4

About 2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696583) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696583
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C)c1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1
InChIInChI=1S/C18H23N3O3/c1-17(2,3)13-8-6-12(7-9-13)15(22)20-14-10-19-21(11-14)18(4,5)16(23)24/h6-11H,1-5H3,(H,20,22)(H,23,24)
InChIKeyBVMXUAAGMMADGC-UHFFFAOYSA-N
XLogP3.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
2-[4-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697747
2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696513
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-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696220
2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696541
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-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696583) is 2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is CC(C)(C)c1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1.
What is the InChIKey of 2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is BVMXUAAGMMADGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-17(2,3)13-8-6-12(7-9-13)15(22)20-14-10-19-21(11-14)18(4,5)16(23)24/h6-11H,1-5H3,(H,20,22)(H,23,24).
What are the key properties of 2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 329.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).