ethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate

C20H30N4O2 — CID 91146813

IUPACethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCCC(c2cc(N(C)C)n3ncc(CC)c3n2)C1
InChIInChI=1S/C20H30N4O2/c1-5-15-13-21-24-18(23(3)4)12-17(22-20(15)24)16-9-7-8-14(10-16)11-19(25)26-6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyGEHLGGFVPSHASL-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.58
Rot. Bonds6

About ethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate

ethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate (PubChem CID 91146813) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is ethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate
PubChem CID91146813
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Nameethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCCC(c2cc(N(C)C)n3ncc(CC)c3n2)C1
InChIInChI=1S/C20H30N4O2/c1-5-15-13-21-24-18(23(3)4)12-17(22-20(15)24)16-9-7-8-14(10-16)11-19(25)26-6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyGEHLGGFVPSHASL-UHFFFAOYSA-N
XLogP3.58
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate (CID 91146813) is ethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate is CCOC(=O)CC1CCCC(c2cc(N(C)C)n3ncc(CC)c3n2)C1.
What is the InChIKey of ethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate?
The InChIKey is GEHLGGFVPSHASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-5-15-13-21-24-18(23(3)4)12-17(22-20(15)24)16-9-7-8-14(10-16)11-19(25)26-6-2/h12-14,16H,5-11H2,1-4H3.
What are the key properties of ethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate?
ethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate has a molecular weight of 358.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate is sourced from PubChem (CID 91146813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).