ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate

C14H22N2O2 — CID 61380918

IUPACethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate
SMILESCCOC(=O)Cc1c(C)nn(C(C)C2CC2)c1C
InChIInChI=1S/C14H22N2O2/c1-5-18-14(17)8-13-9(2)15-16(11(13)4)10(3)12-6-7-12/h10,12H,5-8H2,1-4H3
InChIKeyYKUMZFVXEBYIQV-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.58
Rot. Bonds5

About ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate

ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate (PubChem CID 61380918) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate
PubChem CID61380918
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate
SMILESCCOC(=O)Cc1c(C)nn(C(C)C2CC2)c1C
InChIInChI=1S/C14H22N2O2/c1-5-18-14(17)8-13-9(2)15-16(11(13)4)10(3)12-6-7-12/h10,12H,5-8H2,1-4H3
InChIKeyYKUMZFVXEBYIQV-UHFFFAOYSA-N
XLogP2.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 61270347
ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate
CID 61381131
ethyl 2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 155103483
[(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 97314627
N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine
CID 79225002
ethyl 2-[3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazol-4-yl]acetate
CID 66937785
2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294632
ethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate
CID 61381012
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 119518527
2-cyclopropyl-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]acetic acid
CID 119213672
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)butanoate
CID 64662065
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 8824227

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate (CID 61380918) is ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate is CCOC(=O)Cc1c(C)nn(C(C)C2CC2)c1C.
What is the InChIKey of ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate?
The InChIKey is YKUMZFVXEBYIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-18-14(17)8-13-9(2)15-16(11(13)4)10(3)12-6-7-12/h10,12H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate?
ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate has a molecular weight of 250.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate is sourced from PubChem (CID 61380918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).