ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C20H17N5O3 — CID 131986680

IUPACethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)cc(-c3cccc(Oc4ncccn4)c3)nc12
InChIInChI=1S/C20H17N5O3/c1-3-27-19(26)16-12-23-25-13(2)10-17(24-18(16)25)14-6-4-7-15(11-14)28-20-21-8-5-9-22-20/h4-12H,3H2,1-2H3
InChIKeyKUQLKHQWHUFWSU-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.46
Rot. Bonds5

About ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 131986680) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID131986680
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Nameethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)cc(-c3cccc(Oc4ncccn4)c3)nc12
InChIInChI=1S/C20H17N5O3/c1-3-27-19(26)16-12-23-25-13(2)10-17(24-18(16)25)14-6-4-7-15(11-14)28-20-21-8-5-9-22-20/h4-12H,3H2,1-2H3
InChIKeyKUQLKHQWHUFWSU-UHFFFAOYSA-N
XLogP3.46
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
ethyl 5-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986812
ethyl 5-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986808
ethyl 7-methyl-5-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986760
ethyl 7-(difluoromethyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4773420
ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986710
ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986687
ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 69155295
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 15957947
ethyl 7-methyl-5-[(E)-3-oxobut-1-enyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 140822148

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 131986680) is ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(C)cc(-c3cccc(Oc4ncccn4)c3)nc12.
What is the InChIKey of ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is KUQLKHQWHUFWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-3-27-19(26)16-12-23-25-13(2)10-17(24-18(16)25)14-6-4-7-15(11-14)28-20-21-8-5-9-22-20/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 375.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 131986680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).