methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate

C10H16ClN3O2 — CID 62027451

IUPACmethyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-7-8(10(11)14(3)12-7)5-13(2)6-9(15)16-4/h5-6H2,1-4H3
InChIKeyXJDPDYJYACOBAC-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.99
Rot. Bonds4

About methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate

methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate (PubChem CID 62027451) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate
PubChem CID62027451
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Namemethyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-7-8(10(11)14(3)12-7)5-13(2)6-9(15)16-4/h5-6H2,1-4H3
InChIKeyXJDPDYJYACOBAC-UHFFFAOYSA-N
XLogP0.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate?
The IUPAC name of methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate (CID 62027451) is methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate is COC(=O)CN(C)Cc1c(C)nn(C)c1Cl.
What is the InChIKey of methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate?
The InChIKey is XJDPDYJYACOBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-7-8(10(11)14(3)12-7)5-13(2)6-9(15)16-4/h5-6H2,1-4H3.
What are the key properties of methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate?
methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate has a molecular weight of 245.71 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate is sourced from PubChem (CID 62027451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).