propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate

C12H21N3O2 — CID 79237085

IUPACpropan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate
SMILESCc1nn(C)c(C)c1CNCC(=O)OC(C)C
InChIInChI=1S/C12H21N3O2/c1-8(2)17-12(16)7-13-6-11-9(3)14-15(5)10(11)4/h8,13H,6-7H2,1-5H3
InChIKeyBYGUAXJKCHJUPN-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.08
Rot. Bonds5

About propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate

propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate (PubChem CID 79237085) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate
PubChem CID79237085
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Namepropan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate
SMILESCc1nn(C)c(C)c1CNCC(=O)OC(C)C
InChIInChI=1S/C12H21N3O2/c1-8(2)17-12(16)7-13-6-11-9(3)14-15(5)10(11)4/h8,13H,6-7H2,1-5H3
InChIKeyBYGUAXJKCHJUPN-UHFFFAOYSA-N
XLogP1.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate 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-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 79236503
3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
CID 111422037
N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989575
3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28727158
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 66401684
N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989578
3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 66092719
N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 78990459
2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 78958688
2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
CID 113436555

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate?
The IUPAC name of propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate (CID 79237085) is propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate?
The canonical SMILES for propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate is Cc1nn(C)c(C)c1CNCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate?
The InChIKey is BYGUAXJKCHJUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)17-12(16)7-13-6-11-9(3)14-15(5)10(11)4/h8,13H,6-7H2,1-5H3.
What are the key properties of propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate?
propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate has a molecular weight of 239.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate is sourced from PubChem (CID 79237085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).