2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C20H23N5O3 — CID 120696908

IUPAC2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCc1cc(C)cc(-n2nc(C(=O)Nc3cnn(C(C)(C)C(=O)O)c3)cc2C)c1
InChIInChI=1S/C20H23N5O3/c1-12-6-13(2)8-16(7-12)25-14(3)9-17(23-25)18(26)22-15-10-21-24(11-15)20(4,5)19(27)28/h6-11H,1-5H3,(H,22,26)(H,27,28)
InChIKeyUHFXUHUMFYCZGZ-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.07
Rot. Bonds5

About 2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696908) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696908
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCc1cc(C)cc(-n2nc(C(=O)Nc3cnn(C(C)(C)C(=O)O)c3)cc2C)c1
InChIInChI=1S/C20H23N5O3/c1-12-6-13(2)8-16(7-12)25-14(3)9-17(23-25)18(26)22-15-10-21-24(11-15)20(4,5)19(27)28/h6-11H,1-5H3,(H,22,26)(H,27,28)
InChIKeyUHFXUHUMFYCZGZ-UHFFFAOYSA-N
XLogP3.07
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696220
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697436
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696927
2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697814
2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696513
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-[4-(1,3-benzodioxole-5-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697282
2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696368
2-methyl-2-[4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid
CID 120696625

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696908) is 2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is Cc1cc(C)cc(-n2nc(C(=O)Nc3cnn(C(C)(C)C(=O)O)c3)cc2C)c1.
What is the InChIKey of 2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is UHFXUHUMFYCZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-6-13(2)8-16(7-12)25-14(3)9-17(23-25)18(26)22-15-10-21-24(11-15)20(4,5)19(27)28/h6-11H,1-5H3,(H,22,26)(H,27,28).
What are the key properties of 2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 381.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).