3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid

C16H17F2N3O3 — CID 75429360

IUPAC3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)c1cn(C)nc1-c1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C16H17F2N3O3/c1-9(16(23)24)7-20(2)15(22)12-8-21(3)19-14(12)11-5-4-10(17)6-13(11)18/h4-6,8-9H,7H2,1-3H3,(H,23,24)
InChIKeyBPEIJGDONXRORK-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.16
Rot. Bonds5

About 3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid

3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid (PubChem CID 75429360) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
PubChem CID75429360
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)c1cn(C)nc1-c1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C16H17F2N3O3/c1-9(16(23)24)7-20(2)15(22)12-8-21(3)19-14(12)11-5-4-10(17)6-13(11)18/h4-6,8-9H,7H2,1-3H3,(H,23,24)
InChIKeyBPEIJGDONXRORK-UHFFFAOYSA-N
XLogP2.16
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-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

1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid
CID 2566102
1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
CID 2795474
1-benzyl-3-methyl-1H-pyrazole-4-carboxylic acid
CID 542800
[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-N,N-diethylcarboxamide
CID 2471334
1-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 28557165
2-(4-formyl-3-phenyl-1H-pyrazol-1-yl)acetic acid
CID 694133
1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbonyl]piperidine
CID 882738
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 57398389
1-[3-[3-(Dimethylcarbamoyl)phenyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 168275493
1-(2-Carboxyethyl)-3-phenylpyrazole-4-carboxylic acid
CID 2345078
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorobenzamide
CID 708832
3-(2,4-difluorophenyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 43141375

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid (CID 75429360) is 3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)c1cn(C)nc1-c1ccc(F)cc1F)C(=O)O.
What is the InChIKey of 3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is BPEIJGDONXRORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-9(16(23)24)7-20(2)15(22)12-8-21(3)19-14(12)11-5-4-10(17)6-13(11)18/h4-6,8-9H,7H2,1-3H3,(H,23,24).
What are the key properties of 3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid?
3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 337.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 75429360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).