ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C16H15N3O2 — CID 754764

IUPACethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1C
InChIInChI=1S/C16H15N3O2/c1-3-21-16(20)13-9-17-15-14(10-18-19(15)11(13)2)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyBHSOHTBZIYCWHG-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.88
Rot. Bonds3

About ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 754764) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID754764
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1C
InChIInChI=1S/C16H15N3O2/c1-3-21-16(20)13-9-17-15-14(10-18-19(15)11(13)2)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyBHSOHTBZIYCWHG-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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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 754764) is ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1C.
What is the InChIKey of ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is BHSOHTBZIYCWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-21-16(20)13-9-17-15-14(10-18-19(15)11(13)2)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-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-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 754764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).