cyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate

C16H20N4O2 — CID 71988200

IUPACcyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate
SMILESCc1cc(C)nc(-n2cc(C(=O)OC3CCCC3)c(C)n2)n1
InChIInChI=1S/C16H20N4O2/c1-10-8-11(2)18-16(17-10)20-9-14(12(3)19-20)15(21)22-13-6-4-5-7-13/h8-9,13H,4-7H2,1-3H3
InChIKeyABALMFKGESAKAW-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.69
Rot. Bonds3

About cyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate

cyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate (PubChem CID 71988200) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is cyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Namecyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate
PubChem CID71988200
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Namecyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate
SMILESCc1cc(C)nc(-n2cc(C(=O)OC3CCCC3)c(C)n2)n1
InChIInChI=1S/C16H20N4O2/c1-10-8-11(2)18-16(17-10)20-9-14(12(3)19-20)15(21)22-13-6-4-5-7-13/h8-9,13H,4-7H2,1-3H3
InChIKeyABALMFKGESAKAW-UHFFFAOYSA-N
XLogP2.69
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate?
The IUPAC name of cyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate (CID 71988200) is cyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate.
What is the SMILES notation for cyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate?
The canonical SMILES for cyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate is Cc1cc(C)nc(-n2cc(C(=O)OC3CCCC3)c(C)n2)n1.
What is the InChIKey of cyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate?
The InChIKey is ABALMFKGESAKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-8-11(2)18-16(17-10)20-9-14(12(3)19-20)15(21)22-13-6-4-5-7-13/h8-9,13H,4-7H2,1-3H3.
What are the key properties of cyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate?
cyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate is sourced from PubChem (CID 71988200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).