7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C18H14N4O2 — CID 170313897

IUPAC7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1cccc2cccc(-c3cnc4c(C(=O)O)cnn4c3N)c12
InChIInChI=1S/C18H14N4O2/c1-10-4-2-5-11-6-3-7-12(15(10)11)13-8-20-17-14(18(23)24)9-21-22(17)16(13)19/h2-9H,19H2,1H3,(H,23,24)
InChIKeyJQHMTRLLEXAPMO-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.14
Rot. Bonds2

About 7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 170313897) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID170313897
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1cccc2cccc(-c3cnc4c(C(=O)O)cnn4c3N)c12
InChIInChI=1S/C18H14N4O2/c1-10-4-2-5-11-6-3-7-12(15(10)11)13-8-20-17-14(18(23)24)9-21-22(17)16(13)19/h2-9H,19H2,1H3,(H,23,24)
InChIKeyJQHMTRLLEXAPMO-UHFFFAOYSA-N
XLogP3.14
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 170313897) is 7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1cccc2cccc(-c3cnc4c(C(=O)O)cnn4c3N)c12.
What is the InChIKey of 7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is JQHMTRLLEXAPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-10-4-2-5-11-6-3-7-12(15(10)11)13-8-20-17-14(18(23)24)9-21-22(17)16(13)19/h2-9H,19H2,1H3,(H,23,24).
What are the key properties of 7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 318.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(8-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 170313897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).