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

C20H29N3O2 — CID 90869129

IUPACethyl 2-[4-(3,7-diethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(c2cc(CC)n3ncc(CC)c3n2)CC1
InChIInChI=1S/C20H29N3O2/c1-4-15-13-21-23-17(5-2)12-18(22-20(15)23)16-9-7-14(8-10-16)11-19(24)25-6-3/h12-14,16H,4-11H2,1-3H3
InChIKeyRCGPCSNRLVTTAR-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.08
Rot. Bonds6

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

ethyl 2-[4-(3,7-diethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetate (PubChem CID 90869129) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is ethyl 2-[4-(3,7-diethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(3,7-diethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetate
PubChem CID90869129
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Nameethyl 2-[4-(3,7-diethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(c2cc(CC)n3ncc(CC)c3n2)CC1
InChIInChI=1S/C20H29N3O2/c1-4-15-13-21-23-17(5-2)12-18(22-20(15)23)16-9-7-14(8-10-16)11-19(24)25-6-3/h12-14,16H,4-11H2,1-3H3
InChIKeyRCGPCSNRLVTTAR-UHFFFAOYSA-N
XLogP4.08
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3,7-diethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-(3,7-diethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetate (CID 90869129) is ethyl 2-[4-(3,7-diethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-(3,7-diethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-(3,7-diethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetate is CCOC(=O)CC1CCC(c2cc(CC)n3ncc(CC)c3n2)CC1.
What is the InChIKey of ethyl 2-[4-(3,7-diethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetate?
The InChIKey is RCGPCSNRLVTTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-15-13-21-23-17(5-2)12-18(22-20(15)23)16-9-7-14(8-10-16)11-19(24)25-6-3/h12-14,16H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[4-(3,7-diethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetate?
ethyl 2-[4-(3,7-diethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetate has a molecular weight of 343.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3,7-diethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetate is sourced from PubChem (CID 90869129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).