methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate

C14H19N3O2S — CID 43725037

IUPACmethyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NCc1c(C)n[nH]c1C)c1cccs1
InChIInChI=1S/C14H19N3O2S/c1-9-11(10(2)17-16-9)8-15-12(7-14(18)19-3)13-5-4-6-20-13/h4-6,12,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyUTCSBISEYVMNGT-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.48
Rot. Bonds6

About methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate

methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate (PubChem CID 43725037) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate
PubChem CID43725037
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Namemethyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NCc1c(C)n[nH]c1C)c1cccs1
InChIInChI=1S/C14H19N3O2S/c1-9-11(10(2)17-16-9)8-15-12(7-14(18)19-3)13-5-4-6-20-13/h4-6,12,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyUTCSBISEYVMNGT-UHFFFAOYSA-N
XLogP2.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate 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-5-yl]methylamino]-2-thiophen-2-ylacetic acid
CID 167940338
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 46341492
Methyl 3-thiophen-2-yl-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate
CID 43050709
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43692815
Methyl 3-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoate
CID 43724914
methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate
CID 43725038
methyl 3-(1H-pyrazol-5-ylmethylamino)-3-thiophen-2-ylpropanoate
CID 43725042
3-Thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
CID 43727593
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 43727771
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 43727772
3-(1H-pyrazol-5-ylmethylamino)-3-thiophen-2-ylpropanoic acid
CID 43727776
methyl 3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanoate
CID 43774742

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate (CID 43725037) is methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate is COC(=O)CC(NCc1c(C)n[nH]c1C)c1cccs1.
What is the InChIKey of methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate?
The InChIKey is UTCSBISEYVMNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-11(10(2)17-16-9)8-15-12(7-14(18)19-3)13-5-4-6-20-13/h4-6,12,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate?
methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate has a molecular weight of 293.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 43725037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).