ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C20H18N4O2 — CID 170313989

IUPACethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N)c(-c3cc(C)cc4ccccc34)cnc12
InChIInChI=1S/C20H18N4O2/c1-3-26-20(25)17-11-23-24-18(21)16(10-22-19(17)24)15-9-12(2)8-13-6-4-5-7-14(13)15/h4-11H,3,21H2,1-2H3
InChIKeyJSDUUKJGQRUTQQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.62
Rot. Bonds3

About ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 170313989) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID170313989
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Nameethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N)c(-c3cc(C)cc4ccccc34)cnc12
InChIInChI=1S/C20H18N4O2/c1-3-26-20(25)17-11-23-24-18(21)16(10-22-19(17)24)15-9-12(2)8-13-6-4-5-7-14(13)15/h4-11H,3,21H2,1-2H3
InChIKeyJSDUUKJGQRUTQQ-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-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 16585334
7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 170313897
ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 15957947
ethyl 7-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(5-methyl-1-benzothiophen-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 170314010
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 69155295
ethyl 4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
CID 135441508
3-O-ethyl 6-O-methyl 7-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate
CID 67540411
ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 57387343
ethyl 11-(3,5-dichlorophenyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 66505084
ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 732237

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 170313989) is ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(N)c(-c3cc(C)cc4ccccc34)cnc12.
What is the InChIKey of ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is JSDUUKJGQRUTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-3-26-20(25)17-11-23-24-18(21)16(10-22-19(17)24)15-9-12(2)8-13-6-4-5-7-14(13)15/h4-11H,3,21H2,1-2H3.
What are the key properties of ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-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-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 170313989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).