1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine

C15H11FN6 — CID 110435881

IUPAC1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCc1nn(-c2ccccc2F)c2ncnc(-n3cccn3)c12
InChIInChI=1S/C15H11FN6/c1-10-13-14(21-8-4-7-19-21)17-9-18-15(13)22(20-10)12-6-3-2-5-11(12)16/h2-9H,1H3
InChIKeyGQZLUNWGVHNZIH-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.45
Rot. Bonds2

About 1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine

1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 110435881) has the molecular formula C15H11FN6 and a molecular weight of 294.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID110435881
Molecular FormulaC15H11FN6
Molecular Weight294.29 g/mol
Exact Mass294.10
IUPAC Name1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCc1nn(-c2ccccc2F)c2ncnc(-n3cccn3)c12
InChIInChI=1S/C15H11FN6/c1-10-13-14(21-8-4-7-19-21)17-9-18-15(13)22(20-10)12-6-3-2-5-11(12)16/h2-9H,1H3
InChIKeyGQZLUNWGVHNZIH-UHFFFAOYSA-N
XLogP2.45
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine (CID 110435881) is 1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine is Cc1nn(-c2ccccc2F)c2ncnc(-n3cccn3)c12.
What is the InChIKey of 1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is GQZLUNWGVHNZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6/c1-10-13-14(21-8-4-7-19-21)17-9-18-15(13)22(20-10)12-6-3-2-5-11(12)16/h2-9H,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine?
1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 294.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 110435881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).