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

C18H13N7 — CID 170313898

IUPAC6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc2ccccc2c1-c1cnc2c(-c3nn[nH]n3)cnn2c1
InChIInChI=1S/C18H13N7/c1-11-6-7-12-4-2-3-5-14(12)16(11)13-8-19-18-15(9-20-25(18)10-13)17-21-23-24-22-17/h2-10H,1H3,(H,21,22,23,24)
InChIKeyISGGGLVWLAADQP-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.04
Rot. Bonds2

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

6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 170313898) has the molecular formula C18H13N7 and a molecular weight of 327.35 g/mol. Its IUPAC name is 6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID170313898
Molecular FormulaC18H13N7
Molecular Weight327.35 g/mol
Exact Mass327.12
IUPAC Name6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc2ccccc2c1-c1cnc2c(-c3nn[nH]n3)cnn2c1
InChIInChI=1S/C18H13N7/c1-11-6-7-12-4-2-3-5-14(12)16(11)13-8-19-18-15(9-20-25(18)10-13)17-21-23-24-22-17/h2-10H,1H3,(H,21,22,23,24)
InChIKeyISGGGLVWLAADQP-UHFFFAOYSA-N
XLogP3.04
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 170313898) is 6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is Cc1ccc2ccccc2c1-c1cnc2c(-c3nn[nH]n3)cnn2c1.
What is the InChIKey of 6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ISGGGLVWLAADQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7/c1-11-6-7-12-4-2-3-5-14(12)16(11)13-8-19-18-15(9-20-25(18)10-13)17-21-23-24-22-17/h2-10H,1H3,(H,21,22,23,24).
What are the key properties of 6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 327.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170313898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).