2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid

C11H15F3N4O3 — CID 106037994

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCc1c(CNC(=O)NC(C)(C(=O)O)C(F)(F)F)cnn1C
InChIInChI=1S/C11H15F3N4O3/c1-6-7(5-16-18(6)3)4-15-9(21)17-10(2,8(19)20)11(12,13)14/h5H,4H2,1-3H3,(H,19,20)(H2,15,17,21)
InChIKeyTUFBDRMAIZKKIW-UHFFFAOYSA-N
MW308.26 g/mol
LogP0.93
Rot. Bonds4

About 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 106037994) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID106037994
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCc1c(CNC(=O)NC(C)(C(=O)O)C(F)(F)F)cnn1C
InChIInChI=1S/C11H15F3N4O3/c1-6-7(5-16-18(6)3)4-15-9(21)17-10(2,8(19)20)11(12,13)14/h5H,4H2,1-3H3,(H,19,20)(H2,15,17,21)
InChIKeyTUFBDRMAIZKKIW-UHFFFAOYSA-N
XLogP0.93
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-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-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 86208017
2-methyl-2-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 119053475
2-[(2-Methylpyrazol-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266207
2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266735
2-[(1,5-Dimethylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79596442
3,3,3-Trifluoro-2-methyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]propanoic acid
CID 79791918
2-[(1,5-Dimethylpyrazole-4-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79796154
3,3,3-Trifluoro-2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 79801147
3,3,3-trifluoro-2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 79801201
3,3,3-Trifluoro-2-methyl-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 79801367
3,3,3-Trifluoro-2-methyl-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 80684752
2-[2-(1-Methylpyrazol-4-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 80685704

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 106037994) is 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid is Cc1c(CNC(=O)NC(C)(C(=O)O)C(F)(F)F)cnn1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is TUFBDRMAIZKKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3/c1-6-7(5-16-18(6)3)4-15-9(21)17-10(2,8(19)20)11(12,13)14/h5H,4H2,1-3H3,(H,19,20)(H2,15,17,21).
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 308.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 106037994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).