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

C17H10FN7 — CID 170313892

IUPAC6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESFc1cccc2c(-c3cnc4c(-c5nn[nH]n5)cnn4c3)cccc12
InChIInChI=1S/C17H10FN7/c18-15-6-2-4-12-11(3-1-5-13(12)15)10-7-19-17-14(8-20-25(17)9-10)16-21-23-24-22-16/h1-9H,(H,21,22,23,24)
InChIKeyMBXQNUFXNQOWOH-UHFFFAOYSA-N
MW331.31 g/mol
LogP2.87
Rot. Bonds2

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

6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 170313892) has the molecular formula C17H10FN7 and a molecular weight of 331.31 g/mol. Its IUPAC name is 6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID170313892
Molecular FormulaC17H10FN7
Molecular Weight331.31 g/mol
Exact Mass331.10
IUPAC Name6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESFc1cccc2c(-c3cnc4c(-c5nn[nH]n5)cnn4c3)cccc12
InChIInChI=1S/C17H10FN7/c18-15-6-2-4-12-11(3-1-5-13(12)15)10-7-19-17-14(8-20-25(17)9-10)16-21-23-24-22-16/h1-9H,(H,21,22,23,24)
InChIKeyMBXQNUFXNQOWOH-UHFFFAOYSA-N
XLogP2.87
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]-3-[4-(2H-tetrazol-5-yl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine
CID 118664822
5-bromo-1-(3-fluoropyrazolo[1,5-a]pyrimidin-6-yl)-3,3-dimethyl-4H-isoquinoline
CID 118368657
7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 142838320
6-(7-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 170313942
5-(3-chloro-2-fluorophenyl)-2H-tetrazole
CID 63034901
6-(7-ethylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 170313926
1-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-3,3-dimethylisoquinolin-4-one
CID 118368643
6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 170313911
6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 166386487
3-(3-methylsulfanylphenyl)-6-(4-propylphenyl)pyrazolo[1,5-a]pyrimidine
CID 166824919

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 170313892) is 6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is Fc1cccc2c(-c3cnc4c(-c5nn[nH]n5)cnn4c3)cccc12.
What is the InChIKey of 6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MBXQNUFXNQOWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN7/c18-15-6-2-4-12-11(3-1-5-13(12)15)10-7-19-17-14(8-20-25(17)9-10)16-21-23-24-22-16/h1-9H,(H,21,22,23,24).
What are the key properties of 6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 331.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoronaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170313892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).