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

C18H14N8 — CID 170313942

IUPAC6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc2cccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N)c2c1
InChIInChI=1S/C18H14N8/c1-10-5-6-11-3-2-4-12(13(11)7-10)14-8-20-18-15(17-22-24-25-23-17)9-21-26(18)16(14)19/h2-9H,19H2,1H3,(H,22,23,24,25)
InChIKeyCENVKSOQWOWOON-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.62
Rot. Bonds2

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

6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 170313942) has the molecular formula C18H14N8 and a molecular weight of 342.37 g/mol. Its IUPAC name is 6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID170313942
Molecular FormulaC18H14N8
Molecular Weight342.37 g/mol
Exact Mass342.13
IUPAC Name6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc2cccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N)c2c1
InChIInChI=1S/C18H14N8/c1-10-5-6-11-3-2-4-12(13(11)7-10)14-8-20-18-15(17-22-24-25-23-17)9-21-26(18)16(14)19/h2-9H,19H2,1H3,(H,22,23,24,25)
InChIKeyCENVKSOQWOWOON-UHFFFAOYSA-N
XLogP2.62
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 170313926
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
[6,7-dimethoxy-4-(2H-tetrazol-5-yl)isoquinolin-1-yl]-(7-methylnaphthalen-1-yl)methanone
CID 23568879
5-(2-bromo-5-methylphenyl)-2H-tetrazole
CID 166595540
7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 170313897
6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 170313892
7-cyclohexyl-6-[3-(3-methoxyphenoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15957975
5-methyl-3-(2H-tetrazol-5-yl)pyridin-2-amine
CID 14200810
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-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 170313942) is 6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc2cccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N)c2c1.
What is the InChIKey of 6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CENVKSOQWOWOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8/c1-10-5-6-11-3-2-4-12(13(11)7-10)14-8-20-18-15(17-22-24-25-23-17)9-21-26(18)16(14)19/h2-9H,19H2,1H3,(H,22,23,24,25).
What are the key properties of 6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 342.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 170313942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).