5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine

C17H16FN7O — CID 163228823

IUPAC5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccc(F)c(O[C@@H](C)Cn4cnnn4)c3)ccn2n1
InChIInChI=1S/C17H16FN7O/c1-11-7-17-20-15(5-6-25(17)21-11)13-3-4-14(18)16(8-13)26-12(2)9-24-10-19-22-23-24/h3-8,10,12H,9H2,1-2H3/t12-/m0/s1
InChIKeyBHEFFHYMNCRVHL-LBPRGKRZSA-N
MW353.36 g/mol
LogP2.30
Rot. Bonds5

About 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine

5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 163228823) has the molecular formula C17H16FN7O and a molecular weight of 353.36 g/mol. Its IUPAC name is 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID163228823
Molecular FormulaC17H16FN7O
Molecular Weight353.36 g/mol
Exact Mass353.14
IUPAC Name5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccc(F)c(O[C@@H](C)Cn4cnnn4)c3)ccn2n1
InChIInChI=1S/C17H16FN7O/c1-11-7-17-20-15(5-6-25(17)21-11)13-3-4-14(18)16(8-13)26-12(2)9-24-10-19-22-23-24/h3-8,10,12H,9H2,1-2H3/t12-/m0/s1
InChIKeyBHEFFHYMNCRVHL-LBPRGKRZSA-N
XLogP2.30
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine (CID 163228823) is 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(-c3ccc(F)c(O[C@@H](C)Cn4cnnn4)c3)ccn2n1.
What is the InChIKey of 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is BHEFFHYMNCRVHL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16FN7O/c1-11-7-17-20-15(5-6-25(17)21-11)13-3-4-14(18)16(8-13)26-12(2)9-24-10-19-22-23-24/h3-8,10,12H,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine?
5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 353.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163228823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).