(4-cyclopropylpyrazol-1-yl) acetate

C8H10N2O2 — CID 88995659

IUPAC(4-cyclopropylpyrazol-1-yl) acetate
SMILESCC(=O)On1cc(C2CC2)cn1
InChIInChI=1S/C8H10N2O2/c1-6(11)12-10-5-8(4-9-10)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyPYAJZEHFUKUOBC-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.74
Rot. Bonds2

About (4-cyclopropylpyrazol-1-yl) acetate

(4-cyclopropylpyrazol-1-yl) acetate (PubChem CID 88995659) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (4-cyclopropylpyrazol-1-yl) acetate.

Molecular Properties

Compound Name(4-cyclopropylpyrazol-1-yl) acetate
PubChem CID88995659
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(4-cyclopropylpyrazol-1-yl) acetate
SMILESCC(=O)On1cc(C2CC2)cn1
InChIInChI=1S/C8H10N2O2/c1-6(11)12-10-5-8(4-9-10)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyPYAJZEHFUKUOBC-UHFFFAOYSA-N
XLogP0.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpyrazol-1-yl) acetate?
The IUPAC name of (4-cyclopropylpyrazol-1-yl) acetate (CID 88995659) is (4-cyclopropylpyrazol-1-yl) acetate.
What is the SMILES notation for (4-cyclopropylpyrazol-1-yl) acetate?
The canonical SMILES for (4-cyclopropylpyrazol-1-yl) acetate is CC(=O)On1cc(C2CC2)cn1.
What is the InChIKey of (4-cyclopropylpyrazol-1-yl) acetate?
The InChIKey is PYAJZEHFUKUOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(11)12-10-5-8(4-9-10)7-2-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of (4-cyclopropylpyrazol-1-yl) acetate?
(4-cyclopropylpyrazol-1-yl) acetate has a molecular weight of 166.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpyrazol-1-yl) acetate is sourced from PubChem (CID 88995659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).