methyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate

C12H21N3O2 — CID 79595574

IUPACmethyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate
SMILESCOC(=O)CC(c1cnn(C)c1C)C(C)(C)N
InChIInChI=1S/C12H21N3O2/c1-8-9(7-14-15(8)4)10(12(2,3)13)6-11(16)17-5/h7,10H,6,13H2,1-5H3
InChIKeyNQPQEOMXTIRZTG-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.11
Rot. Bonds4

About methyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate

methyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate (PubChem CID 79595574) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate
PubChem CID79595574
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Namemethyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate
SMILESCOC(=O)CC(c1cnn(C)c1C)C(C)(C)N
InChIInChI=1S/C12H21N3O2/c1-8-9(7-14-15(8)4)10(12(2,3)13)6-11(16)17-5/h7,10H,6,13H2,1-5H3
InChIKeyNQPQEOMXTIRZTG-UHFFFAOYSA-N
XLogP1.11
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate?
The IUPAC name of methyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate (CID 79595574) is methyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate.
What is the SMILES notation for methyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate?
The canonical SMILES for methyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate is COC(=O)CC(c1cnn(C)c1C)C(C)(C)N.
What is the InChIKey of methyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate?
The InChIKey is NQPQEOMXTIRZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-9(7-14-15(8)4)10(12(2,3)13)6-11(16)17-5/h7,10H,6,13H2,1-5H3.
What are the key properties of methyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate?
methyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate has a molecular weight of 239.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate is sourced from PubChem (CID 79595574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).