pyrazol-1-yl 2,2-dimethylpropanoate

C8H12N2O2 — CID 23465091

IUPACpyrazol-1-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)On1cccn1
InChIInChI=1S/C8H12N2O2/c1-8(2,3)7(11)12-10-6-4-5-9-10/h4-6H,1-3H3
InChIKeyPPGUXAXAGRYZIP-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.88
Rot. Bonds1

About pyrazol-1-yl 2,2-dimethylpropanoate

pyrazol-1-yl 2,2-dimethylpropanoate (PubChem CID 23465091) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is pyrazol-1-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namepyrazol-1-yl 2,2-dimethylpropanoate
PubChem CID23465091
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namepyrazol-1-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)On1cccn1
InChIInChI=1S/C8H12N2O2/c1-8(2,3)7(11)12-10-6-4-5-9-10/h4-6H,1-3H3
InChIKeyPPGUXAXAGRYZIP-UHFFFAOYSA-N
XLogP0.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazol-1-yl 2,2-dimethylpropanoate?
The IUPAC name of pyrazol-1-yl 2,2-dimethylpropanoate (CID 23465091) is pyrazol-1-yl 2,2-dimethylpropanoate.
What is the SMILES notation for pyrazol-1-yl 2,2-dimethylpropanoate?
The canonical SMILES for pyrazol-1-yl 2,2-dimethylpropanoate is CC(C)(C)C(=O)On1cccn1.
What is the InChIKey of pyrazol-1-yl 2,2-dimethylpropanoate?
The InChIKey is PPGUXAXAGRYZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,3)7(11)12-10-6-4-5-9-10/h4-6H,1-3H3.
What are the key properties of pyrazol-1-yl 2,2-dimethylpropanoate?
pyrazol-1-yl 2,2-dimethylpropanoate has a molecular weight of 168.20 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 23465091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).