methyl 2-(1-tert-butylpyrazol-4-yl)acetate

C10H16N2O2 — CID 89006356

IUPACmethyl 2-(1-tert-butylpyrazol-4-yl)acetate
SMILESCOC(=O)Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/C10H16N2O2/c1-10(2,3)12-7-8(6-11-12)5-9(13)14-4/h6-7H,5H2,1-4H3
InChIKeyAWNUKGXTMVDOTH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.35
Rot. Bonds2

About methyl 2-(1-tert-butylpyrazol-4-yl)acetate

methyl 2-(1-tert-butylpyrazol-4-yl)acetate (PubChem CID 89006356) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 2-(1-tert-butylpyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-tert-butylpyrazol-4-yl)acetate
PubChem CID89006356
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl 2-(1-tert-butylpyrazol-4-yl)acetate
SMILESCOC(=O)Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/C10H16N2O2/c1-10(2,3)12-7-8(6-11-12)5-9(13)14-4/h6-7H,5H2,1-4H3
InChIKeyAWNUKGXTMVDOTH-UHFFFAOYSA-N
XLogP1.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-tert-butylpyrazol-4-yl)acetate?
The IUPAC name of methyl 2-(1-tert-butylpyrazol-4-yl)acetate (CID 89006356) is methyl 2-(1-tert-butylpyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(1-tert-butylpyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-(1-tert-butylpyrazol-4-yl)acetate is COC(=O)Cc1cnn(C(C)(C)C)c1.
What is the InChIKey of methyl 2-(1-tert-butylpyrazol-4-yl)acetate?
The InChIKey is AWNUKGXTMVDOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)12-7-8(6-11-12)5-9(13)14-4/h6-7H,5H2,1-4H3.
What are the key properties of methyl 2-(1-tert-butylpyrazol-4-yl)acetate?
methyl 2-(1-tert-butylpyrazol-4-yl)acetate has a molecular weight of 196.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-tert-butylpyrazol-4-yl)acetate is sourced from PubChem (CID 89006356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).