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

C12H20N2O2 — CID 61381131

IUPACethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate
SMILESCCCn1nc(C)c(CC(=O)OCC)c1C
InChIInChI=1S/C12H20N2O2/c1-5-7-14-10(4)11(9(3)13-14)8-12(15)16-6-2/h5-8H2,1-4H3
InChIKeyBJNSQCVLTKFKPP-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.02
Rot. Bonds5

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

ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate (PubChem CID 61381131) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate
PubChem CID61381131
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nameethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate
SMILESCCCn1nc(C)c(CC(=O)OCC)c1C
InChIInChI=1S/C12H20N2O2/c1-5-7-14-10(4)11(9(3)13-14)8-12(15)16-6-2/h5-8H2,1-4H3
InChIKeyBJNSQCVLTKFKPP-UHFFFAOYSA-N
XLogP2.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 155103483
ethyl 2-[3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazol-4-yl]acetate
CID 66937785
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid
CID 62222579
ethyl 2-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetate
CID 63276296
ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 86767563
2-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 54956296
ethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate
CID 61381012
2-hydroxyethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
CID 55563465
ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate
CID 79220548
[(2S)-1-amino-1-oxopropan-2-yl] 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
CID 27935541
ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61380918

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate (CID 61381131) is ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate is CCCn1nc(C)c(CC(=O)OCC)c1C.
What is the InChIKey of ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate?
The InChIKey is BJNSQCVLTKFKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-7-14-10(4)11(9(3)13-14)8-12(15)16-6-2/h5-8H2,1-4H3.
What are the key properties of ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate?
ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate has a molecular weight of 224.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate is sourced from PubChem (CID 61381131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).