2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid

C12H21N3O2 — CID 65196763

IUPAC2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCc1nn(C)cc1C(C)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H21N3O2/c1-8-10(7-14(5)13-8)9(2)15(6)12(3,4)11(16)17/h7,9H,1-6H3,(H,16,17)
InChIKeyXPDGKLGAILMVRO-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.58
Rot. Bonds4

About 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid

2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid (PubChem CID 65196763) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid
PubChem CID65196763
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCc1nn(C)cc1C(C)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H21N3O2/c1-8-10(7-14(5)13-8)9(2)15(6)12(3,4)11(16)17/h7,9H,1-6H3,(H,16,17)
InChIKeyXPDGKLGAILMVRO-UHFFFAOYSA-N
XLogP1.58
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-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

2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetic acid
CID 651055
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-(4-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)butanoic acid
CID 119055638
2-(4-iodo-3-methyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 122169310
2-(3,4-Dimethyl-1h-pyrazol-1-yl) succinic acid
CID 67052960
2-(4,5-Dimethyl-1h pyrazol-1-yl)-succinic acid
CID 132144231
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate
CID 99716384
2-[4-Ethyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 141162020
2-[1-(1,3-Dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265736
2-[(1,5-Dimethylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79596442
2-[(3-Tert-butyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 83084339

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid (CID 65196763) is 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid is Cc1nn(C)cc1C(C)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid?
The InChIKey is XPDGKLGAILMVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-10(7-14(5)13-8)9(2)15(6)12(3,4)11(16)17/h7,9H,1-6H3,(H,16,17).
What are the key properties of 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid?
2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid has a molecular weight of 239.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 65196763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).