ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C16H15N3O2 — CID 656076

IUPACethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)cc(-c3ccccc3)nc12
InChIInChI=1S/C16H15N3O2/c1-3-21-16(20)13-10-17-19-11(2)9-14(18-15(13)19)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyIAYAKQRHDBYXSS-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.88
Rot. Bonds3

About ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 656076) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID656076
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)cc(-c3ccccc3)nc12
InChIInChI=1S/C16H15N3O2/c1-3-21-16(20)13-10-17-19-11(2)9-14(18-15(13)19)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyIAYAKQRHDBYXSS-UHFFFAOYSA-N
XLogP2.88
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746
ethyl 7-methyl-5-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986760
ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986680
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 7-(difluoromethyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4773420
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 131986798
ethyl 5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 998722
ethyl 5-(C-ethyl-N-hydroxycarbonimidoyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 140822119

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 656076) is ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(C)cc(-c3ccccc3)nc12.
What is the InChIKey of ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is IAYAKQRHDBYXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-21-16(20)13-10-17-19-11(2)9-14(18-15(13)19)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 281.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 656076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).