methyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate

C10H16N2O2 — CID 79218828

IUPACmethyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate
SMILESCCc1n[nH]c(CC)c1CC(=O)OC
InChIInChI=1S/C10H16N2O2/c1-4-8-7(6-10(13)14-3)9(5-2)12-11-8/h4-6H2,1-3H3,(H,11,12)
InChIKeySPKCWBVDMPAXRG-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.25
Rot. Bonds4

About methyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate

methyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate (PubChem CID 79218828) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate
PubChem CID79218828
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate
SMILESCCc1n[nH]c(CC)c1CC(=O)OC
InChIInChI=1S/C10H16N2O2/c1-4-8-7(6-10(13)14-3)9(5-2)12-11-8/h4-6H2,1-3H3,(H,11,12)
InChIKeySPKCWBVDMPAXRG-UHFFFAOYSA-N
XLogP1.25
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate?
The IUPAC name of methyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate (CID 79218828) is methyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate is CCc1n[nH]c(CC)c1CC(=O)OC.
What is the InChIKey of methyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate?
The InChIKey is SPKCWBVDMPAXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-8-7(6-10(13)14-3)9(5-2)12-11-8/h4-6H2,1-3H3,(H,11,12).
What are the key properties of methyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate?
methyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate has a molecular weight of 196.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate is sourced from PubChem (CID 79218828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).