benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane

C17H28N2O2 — CID 91380577

IUPACbenzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane
SMILESCC.CC.CC(=O)Oc1cc(C)nn1C.c1ccccc1
InChIInChI=1S/C7H10N2O2.C6H6.2C2H6/c1-5-4-7(9(3)8-5)11-6(2)10;1-2-4-6-5-3-1;2*1-2/h4H,1-3H3;1-6H;2*1-2H3
InChIKeyMRWFINHWBSLANQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.39
Rot. Bonds1

About benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane

benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane (PubChem CID 91380577) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane.

Molecular Properties

Compound Namebenzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane
PubChem CID91380577
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Namebenzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane
SMILESCC.CC.CC(=O)Oc1cc(C)nn1C.c1ccccc1
InChIInChI=1S/C7H10N2O2.C6H6.2C2H6/c1-5-4-7(9(3)8-5)11-6(2)10;1-2-4-6-5-3-1;2*1-2/h4H,1-3H3;1-6H;2*1-2H3
InChIKeyMRWFINHWBSLANQ-UHFFFAOYSA-N
XLogP4.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-1-methylpyrazol-5-yl) acetate
CID 174641992
(2,5-dimethylpyrazol-3-yl) 4-methylbenzoate
CID 56692347
[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate
CID 17122164
[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate
CID 7465311
[2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate
CID 121015739
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
CID 81345916
2-(2,5-dimethylpyrazol-3-yl)oxy-N-methyl-N-phenylacetamide
CID 86165736
2-(2,5-dimethylpyrazol-3-yl)oxypyridine-3-carboxylic acid
CID 81342189
2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
CID 81342191
(2,5-dimethylpyrazol-3-yl) 2,3-dimethyl-4-methylsulfonylbenzoate
CID 59821789
(5-methyl-2-phenylpyrazol-3-yl) hydrogen carbonate
CID 175140326
(1-methyl-3-propan-2-ylpyrazol-5-yl) hydrogen carbonate
CID 70480590

Frequently Asked Questions

What is the IUPAC name of benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane?
The IUPAC name of benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane (CID 91380577) is benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane.
What is the SMILES notation for benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane?
The canonical SMILES for benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane is CC.CC.CC(=O)Oc1cc(C)nn1C.c1ccccc1.
What is the InChIKey of benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane?
The InChIKey is MRWFINHWBSLANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.C6H6.2C2H6/c1-5-4-7(9(3)8-5)11-6(2)10;1-2-4-6-5-3-1;2*1-2/h4H,1-3H3;1-6H;2*1-2H3.
What are the key properties of benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane?
benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane has a molecular weight of 292.42 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane is sourced from PubChem (CID 91380577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).