(1-acetyl-5-methylpyrazol-3-yl) acetate

C8H10N2O3 — CID 3015954

IUPAC(1-acetyl-5-methylpyrazol-3-yl) acetate
SMILESCC(=O)Oc1cc(C)n(C(C)=O)n1
InChIInChI=1S/C8H10N2O3/c1-5-4-8(13-7(3)12)9-10(5)6(2)11/h4H,1-3H3
InChIKeyMZBDLEUTLWAKHE-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.78
Rot. Bonds1

About (1-acetyl-5-methylpyrazol-3-yl) acetate

(1-acetyl-5-methylpyrazol-3-yl) acetate (PubChem CID 3015954) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (1-acetyl-5-methylpyrazol-3-yl) acetate.

Molecular Properties

Compound Name(1-acetyl-5-methylpyrazol-3-yl) acetate
PubChem CID3015954
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(1-acetyl-5-methylpyrazol-3-yl) acetate
SMILESCC(=O)Oc1cc(C)n(C(C)=O)n1
InChIInChI=1S/C8H10N2O3/c1-5-4-8(13-7(3)12)9-10(5)6(2)11/h4H,1-3H3
InChIKeyMZBDLEUTLWAKHE-UHFFFAOYSA-N
XLogP0.78
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Isolan
CID 8393
Carbamic acid, dimethyl-, 2-ethyl-5-methyl-3-pyrazolyl ester
CID 54031
Ethyl 3-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 142042358
[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl] acetate
CID 152261131
1,5-Dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole;2,2,2-trifluoroacetic acid
CID 167630863
Tert-butyl 5-(difluoromethoxy)-3-(difluoromethyl)pyrazole-1-carboxylate
CID 169749663
Tert-butyl 3-(difluoromethoxy)-5-methylpyrazole-1-carboxylate
CID 170700964
1-[5-(difluoromethyl)-3-[[(2R)-oxiran-2-yl]methoxy]pyrazol-1-yl]ethanone
CID 177970384
1-[5-(Difluoromethyl)-3-(3-hydroxypropoxy)pyrazol-1-yl]ethanone
CID 177970540
1-[3-(3-Chloro-2-methylpropoxy)-5-(difluoromethyl)pyrazol-1-yl]ethanone
CID 177970550
1-[3-(3-Chloropropoxy)-5-(difluoromethyl)pyrazol-1-yl]ethanone
CID 177970602
1-[5-(difluoromethyl)-3-[[(2S)-2-methyloxiran-2-yl]methoxy]pyrazol-1-yl]ethanone
CID 177970715

Frequently Asked Questions

What is the IUPAC name of (1-acetyl-5-methylpyrazol-3-yl) acetate?
The IUPAC name of (1-acetyl-5-methylpyrazol-3-yl) acetate (CID 3015954) is (1-acetyl-5-methylpyrazol-3-yl) acetate.
What is the SMILES notation for (1-acetyl-5-methylpyrazol-3-yl) acetate?
The canonical SMILES for (1-acetyl-5-methylpyrazol-3-yl) acetate is CC(=O)Oc1cc(C)n(C(C)=O)n1.
What is the InChIKey of (1-acetyl-5-methylpyrazol-3-yl) acetate?
The InChIKey is MZBDLEUTLWAKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-4-8(13-7(3)12)9-10(5)6(2)11/h4H,1-3H3.
What are the key properties of (1-acetyl-5-methylpyrazol-3-yl) acetate?
(1-acetyl-5-methylpyrazol-3-yl) acetate has a molecular weight of 182.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-5-methylpyrazol-3-yl) acetate is sourced from PubChem (CID 3015954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).