methyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate

C10H17N3O2 — CID 79583522

IUPACmethyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate
SMILESCOC(=O)C(CN)Cc1cnn(C)c1C
InChIInChI=1S/C10H17N3O2/c1-7-9(6-12-13(7)2)4-8(5-11)10(14)15-3/h6,8H,4-5,11H2,1-3H3
InChIKeyPTLIHGIMEMIODN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.02
Rot. Bonds4

About methyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate

methyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate (PubChem CID 79583522) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate
PubChem CID79583522
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate
SMILESCOC(=O)C(CN)Cc1cnn(C)c1C
InChIInChI=1S/C10H17N3O2/c1-7-9(6-12-13(7)2)4-8(5-11)10(14)15-3/h6,8H,4-5,11H2,1-3H3
InChIKeyPTLIHGIMEMIODN-UHFFFAOYSA-N
XLogP0.02
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate?
The IUPAC name of methyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate (CID 79583522) is methyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate?
The canonical SMILES for methyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate is COC(=O)C(CN)Cc1cnn(C)c1C.
What is the InChIKey of methyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate?
The InChIKey is PTLIHGIMEMIODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-9(6-12-13(7)2)4-8(5-11)10(14)15-3/h6,8H,4-5,11H2,1-3H3.
What are the key properties of methyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate?
methyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-3-(1,5-dimethylpyrazol-4-yl)propanoate is sourced from PubChem (CID 79583522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).