methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate

C14H18N4O2 — CID 66733907

IUPACmethyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2cc(N)n3nccc3n2)CC1
InChIInChI=1S/C14H18N4O2/c1-20-14(19)10-4-2-9(3-5-10)11-8-12(15)18-13(17-11)6-7-16-18/h6-10H,2-5,15H2,1H3
InChIKeyIUTGNWFEYGGONQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.76
Rot. Bonds2

About methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate

methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate (PubChem CID 66733907) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate
PubChem CID66733907
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2cc(N)n3nccc3n2)CC1
InChIInChI=1S/C14H18N4O2/c1-20-14(19)10-4-2-9(3-5-10)11-8-12(15)18-13(17-11)6-7-16-18/h6-10H,2-5,15H2,1H3
InChIKeyIUTGNWFEYGGONQ-UHFFFAOYSA-N
XLogP1.76
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate (CID 66733907) is methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate is COC(=O)C1CCC(c2cc(N)n3nccc3n2)CC1.
What is the InChIKey of methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate?
The InChIKey is IUTGNWFEYGGONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-14(19)10-4-2-9(3-5-10)11-8-12(15)18-13(17-11)6-7-16-18/h6-10H,2-5,15H2,1H3.
What are the key properties of methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate?
methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 66733907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).