ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C17H17N3O3 — CID 131986746

IUPACethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)cc(-c3cccc(OC)c3)nc12
InChIInChI=1S/C17H17N3O3/c1-4-23-17(21)14-10-18-20-11(2)8-15(19-16(14)20)12-6-5-7-13(9-12)22-3/h5-10H,4H2,1-3H3
InChIKeyVRUXPYMIPKQBPG-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.89
Rot. Bonds4

About ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 131986746) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID131986746
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Nameethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)cc(-c3cccc(OC)c3)nc12
InChIInChI=1S/C17H17N3O3/c1-4-23-17(21)14-10-18-20-11(2)8-15(19-16(14)20)12-6-5-7-13(9-12)22-3/h5-10H,4H2,1-3H3
InChIKeyVRUXPYMIPKQBPG-UHFFFAOYSA-N
XLogP2.89
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986680
ethyl 7-(difluoromethyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4773420
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 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 69155295
ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986710
5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 6971349
ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986687
N-[4-(3-methoxyphenyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53316074
ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate
CID 71680298

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 131986746) is ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(C)cc(-c3cccc(OC)c3)nc12.
What is the InChIKey of ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is VRUXPYMIPKQBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-4-23-17(21)14-10-18-20-11(2)8-15(19-16(14)20)12-6-5-7-13(9-12)22-3/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 131986746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).