ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate

C11H18N2O2 — CID 71185353

IUPACethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate
SMILESCCOC(=O)CC1C(C)=NN=C1C(C)C
InChIInChI=1S/C11H18N2O2/c1-5-15-10(14)6-9-8(4)12-13-11(9)7(2)3/h7,9H,5-6H2,1-4H3
InChIKeyFTPDAVJTWFMGFW-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.04
Rot. Bonds4

About ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate

ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate (PubChem CID 71185353) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate
PubChem CID71185353
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate
SMILESCCOC(=O)CC1C(C)=NN=C1C(C)C
InChIInChI=1S/C11H18N2O2/c1-5-15-10(14)6-9-8(4)12-13-11(9)7(2)3/h7,9H,5-6H2,1-4H3
InChIKeyFTPDAVJTWFMGFW-UHFFFAOYSA-N
XLogP2.04
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate (CID 71185353) is ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate is CCOC(=O)CC1C(C)=NN=C1C(C)C.
What is the InChIKey of ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate?
The InChIKey is FTPDAVJTWFMGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-15-10(14)6-9-8(4)12-13-11(9)7(2)3/h7,9H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate?
ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate has a molecular weight of 210.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate is sourced from PubChem (CID 71185353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).