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

C13H16N4O2 — CID 61381012

IUPACethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate
SMILESCCOC(=O)Cc1c(C)nn(-c2ncccn2)c1C
InChIInChI=1S/C13H16N4O2/c1-4-19-12(18)8-11-9(2)16-17(10(11)3)13-14-6-5-7-15-13/h5-7H,4,8H2,1-3H3
InChIKeyZAWZLEHMUUQYJU-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.38
Rot. Bonds4

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

ethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate (PubChem CID 61381012) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate
PubChem CID61381012
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nameethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate
SMILESCCOC(=O)Cc1c(C)nn(-c2ncccn2)c1C
InChIInChI=1S/C13H16N4O2/c1-4-19-12(18)8-11-9(2)16-17(10(11)3)13-14-6-5-7-15-13/h5-7H,4,8H2,1-3H3
InChIKeyZAWZLEHMUUQYJU-UHFFFAOYSA-N
XLogP1.38
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid
CID 65296262
ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate
CID 61381131
(2-bromo-3-pyridinyl) 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetate
CID 71937397
ethyl 1-[2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
CID 8628629
2-[1-(5-bromopyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 63871923
ethyl 2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 155103483
[2-oxo-2-(propylamino)ethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629414
[2-(azepan-1-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8628662
(4-chlorophenyl)methyl 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetate
CID 38420781
ethyl 2-[3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazol-4-yl]acetate
CID 66937785
[2-(4-ethylphenyl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629128
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8628994

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate (CID 61381012) is ethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate is CCOC(=O)Cc1c(C)nn(-c2ncccn2)c1C.
What is the InChIKey of ethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate?
The InChIKey is ZAWZLEHMUUQYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-4-19-12(18)8-11-9(2)16-17(10(11)3)13-14-6-5-7-15-13/h5-7H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate?
ethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate has a molecular weight of 260.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate is sourced from PubChem (CID 61381012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).