ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C16H16N4O2 — CID 654938

IUPACethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1N
InChIInChI=1S/C16H16N4O2/c1-3-22-16(21)12-9-18-15-13(11-7-5-4-6-8-11)10(2)19-20(15)14(12)17/h4-9H,3,17H2,1-2H3
InChIKeyBHRRMQFTXXTXSY-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.46
Rot. Bonds3

About ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 654938) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID654938
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Nameethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1N
InChIInChI=1S/C16H16N4O2/c1-3-22-16(21)12-9-18-15-13(11-7-5-4-6-8-11)10(2)19-20(15)14(12)17/h4-9H,3,17H2,1-2H3
InChIKeyBHRRMQFTXXTXSY-UHFFFAOYSA-N
XLogP2.46
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 654938) is ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1N.
What is the InChIKey of ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is BHRRMQFTXXTXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-3-22-16(21)12-9-18-15-13(11-7-5-4-6-8-11)10(2)19-20(15)14(12)17/h4-9H,3,17H2,1-2H3.
What are the key properties of ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 654938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).