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

C18H26N4O2 — CID 91109407

IUPACethyl 2-[3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCCC(c2cc(N(C)C)n3nccc3n2)C1
InChIInChI=1S/C18H26N4O2/c1-4-24-18(23)11-13-6-5-7-14(10-13)15-12-17(21(2)3)22-16(20-15)8-9-19-22/h8-9,12-14H,4-7,10-11H2,1-3H3
InChIKeyXOIBJXUHDNCYDH-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.02
Rot. Bonds5

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

ethyl 2-[3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate (PubChem CID 91109407) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethyl 2-[3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate
PubChem CID91109407
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Nameethyl 2-[3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCCC(c2cc(N(C)C)n3nccc3n2)C1
InChIInChI=1S/C18H26N4O2/c1-4-24-18(23)11-13-6-5-7-14(10-13)15-12-17(21(2)3)22-16(20-15)8-9-19-22/h8-9,12-14H,4-7,10-11H2,1-3H3
InChIKeyXOIBJXUHDNCYDH-UHFFFAOYSA-N
XLogP3.02
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.02
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)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate (CID 91109407) is ethyl 2-[3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate is CCOC(=O)CC1CCCC(c2cc(N(C)C)n3nccc3n2)C1.
What is the InChIKey of ethyl 2-[3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate?
The InChIKey is XOIBJXUHDNCYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-24-18(23)11-13-6-5-7-14(10-13)15-12-17(21(2)3)22-16(20-15)8-9-19-22/h8-9,12-14H,4-7,10-11H2,1-3H3.
What are the key properties of ethyl 2-[3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate?
ethyl 2-[3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate has a molecular weight of 330.43 g/mol, XLogP of 3.02, 5 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)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate is sourced from PubChem (CID 91109407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).