6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H16N8 — CID 170313926

IUPAC6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1ccc2cccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N)c2c1
InChIInChI=1S/C19H16N8/c1-2-11-6-7-12-4-3-5-13(14(12)8-11)15-9-21-19-16(18-23-25-26-24-18)10-22-27(19)17(15)20/h3-10H,2,20H2,1H3,(H,23,24,25,26)
InChIKeyWNNZTILXDBFRCR-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.87
Rot. Bonds3

About 6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 170313926) has the molecular formula C19H16N8 and a molecular weight of 356.39 g/mol. Its IUPAC name is 6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID170313926
Molecular FormulaC19H16N8
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC Name6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1ccc2cccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N)c2c1
InChIInChI=1S/C19H16N8/c1-2-11-6-7-12-4-3-5-13(14(12)8-11)15-9-21-19-16(18-23-25-26-24-18)10-22-27(19)17(15)20/h3-10H,2,20H2,1H3,(H,23,24,25,26)
InChIKeyWNNZTILXDBFRCR-UHFFFAOYSA-N
XLogP2.87
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 170313942
6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 170313904
6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 170313963
6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 170313898
[4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol
CID 170313889
6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 170313892
2,7-diethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine
CID 67741029
7-cyclohexyl-6-[3-(3-methoxyphenoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15957975
7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 142838320
7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine
CID 15957998
4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 2806178
ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 170313989

Frequently Asked Questions

What is the IUPAC name of 6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 170313926) is 6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCc1ccc2cccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N)c2c1.
What is the InChIKey of 6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WNNZTILXDBFRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8/c1-2-11-6-7-12-4-3-5-13(14(12)8-11)15-9-21-19-16(18-23-25-26-24-18)10-22-27(19)17(15)20/h3-10H,2,20H2,1H3,(H,23,24,25,26).
What are the key properties of 6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 356.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 170313926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).