methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate

C10H17N3O2 — CID 22196471

IUPACmethyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1cnn(C)c1C
InChIInChI=1S/C10H17N3O2/c1-8-9(5-11-13(8)3)6-12(2)7-10(14)15-4/h5H,6-7H2,1-4H3
InChIKeyQAXQHWQXCRTCGA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.33
Rot. Bonds4

About methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate

methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate (PubChem CID 22196471) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate
PubChem CID22196471
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1cnn(C)c1C
InChIInChI=1S/C10H17N3O2/c1-8-9(5-11-13(8)3)6-12(2)7-10(14)15-4/h5H,6-7H2,1-4H3
InChIKeyQAXQHWQXCRTCGA-UHFFFAOYSA-N
XLogP0.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-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-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 22196432
N-(4-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 17378412
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 79584745
2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid
CID 79596439
dimethyl 5-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 22196393
dimethyl 2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzene-1,4-dicarboxylate
CID 22196448
2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide
CID 22196447
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
CID 22771483
N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196482
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine
CID 119051602
methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate
CID 115232994
2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22196371

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate?
The IUPAC name of methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate (CID 22196471) is methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate is COC(=O)CN(C)Cc1cnn(C)c1C.
What is the InChIKey of methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate?
The InChIKey is QAXQHWQXCRTCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-9(5-11-13(8)3)6-12(2)7-10(14)15-4/h5H,6-7H2,1-4H3.
What are the key properties of methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate?
methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate has a molecular weight of 211.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate is sourced from PubChem (CID 22196471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).