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

C20H18N4O2 — CID 16585334

IUPACethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3cccc4ccccc34)c(C)nn2c1N
InChIInChI=1S/C20H18N4O2/c1-3-26-20(25)16-11-22-19-17(12(2)23-24(19)18(16)21)15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3,21H2,1-2H3
InChIKeyQSCFXQQUCPLNKZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.62
Rot. Bonds3

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

ethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 16585334) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is ethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID16585334
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Nameethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3cccc4ccccc34)c(C)nn2c1N
InChIInChI=1S/C20H18N4O2/c1-3-26-20(25)16-11-22-19-17(12(2)23-24(19)18(16)21)15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3,21H2,1-2H3
InChIKeyQSCFXQQUCPLNKZ-UHFFFAOYSA-N
XLogP3.62
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
ethyl 5-amino-1-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]pyrazole-4-carboxylate
CID 4870913
ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 170313989
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
CID 18670784
ethyl 4-[(4-chlorophenyl)sulfanylmethyl]-7-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228365
ethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135431483
ethyl 2-methylsulfanyl-4-(naphthalen-1-ylamino)pyrimidine-5-carboxylate
CID 849417
ethyl 7-amino-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 28740744
ethyl 4-methyl-8-naphthalen-1-yl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035687
ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228419
ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 126142439

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 16585334) is ethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(-c3cccc4ccccc34)c(C)nn2c1N.
What is the InChIKey of ethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is QSCFXQQUCPLNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-3-26-20(25)16-11-22-19-17(12(2)23-24(19)18(16)21)15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3,21H2,1-2H3.
What are the key properties of ethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 3.62, 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-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 16585334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).