ethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate

C10H16N2O2 — CID 61226338

IUPACethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C)c(C)c1C
InChIInChI=1S/C10H16N2O2/c1-5-14-10(13)6-12-9(4)7(2)8(3)11-12/h5-6H2,1-4H3
InChIKeyBOWANCSDCQZTFB-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.37
Rot. Bonds3

About ethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate

ethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate (PubChem CID 61226338) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate
PubChem CID61226338
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C)c(C)c1C
InChIInChI=1S/C10H16N2O2/c1-5-14-10(13)6-12-9(4)7(2)8(3)11-12/h5-6H2,1-4H3
InChIKeyBOWANCSDCQZTFB-UHFFFAOYSA-N
XLogP1.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 651055
CID 651055
CID 3460028
CID 3460028
CID 1096386
CID 1096386
CID 667902
CID 667902
CID 2778421
CID 2778421
CID 757300
CID 757300
CID 667784
CID 667784
CID 4712180
CID 4712180
CID 3162903
CID 3162903
CID 28412419
CID 28412419
CID 42281907
CID 42281907
CID 43647251
CID 43647251

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate (CID 61226338) is ethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate is CCOC(=O)Cn1nc(C)c(C)c1C.
What is the InChIKey of ethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate?
The InChIKey is BOWANCSDCQZTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-14-10(13)6-12-9(4)7(2)8(3)11-12/h5-6H2,1-4H3.
What are the key properties of ethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate?
ethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate has a molecular weight of 196.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4,5-trimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 61226338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).