ethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate

C19H28N4O2 — CID 91274186

IUPACethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(c2cc(N(C)C)n3ncc(C)c3n2)CC1
InChIInChI=1S/C19H28N4O2/c1-5-25-18(24)10-14-6-8-15(9-7-14)16-11-17(22(3)4)23-19(21-16)13(2)12-20-23/h11-12,14-15H,5-10H2,1-4H3
InChIKeyDJTKJKCSVDPQHC-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.33
Rot. Bonds5

About ethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate

ethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate (PubChem CID 91274186) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is ethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate
PubChem CID91274186
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Nameethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(c2cc(N(C)C)n3ncc(C)c3n2)CC1
InChIInChI=1S/C19H28N4O2/c1-5-25-18(24)10-14-6-8-15(9-7-14)16-11-17(22(3)4)23-19(21-16)13(2)12-20-23/h11-12,14-15H,5-10H2,1-4H3
InChIKeyDJTKJKCSVDPQHC-UHFFFAOYSA-N
XLogP3.33
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate (CID 91274186) is ethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate is CCOC(=O)CC1CCC(c2cc(N(C)C)n3ncc(C)c3n2)CC1.
What is the InChIKey of ethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate?
The InChIKey is DJTKJKCSVDPQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-5-25-18(24)10-14-6-8-15(9-7-14)16-11-17(22(3)4)23-19(21-16)13(2)12-20-23/h11-12,14-15H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate?
ethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate has a molecular weight of 344.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate is sourced from PubChem (CID 91274186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).