3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C20H17FN4O — CID 1481761

IUPAC3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nc3c(-c4ccc(F)cc4)cnn3c2N)cc1
InChIInChI=1S/C20H17FN4O/c1-12-18(14-5-9-16(26-2)10-6-14)19(22)25-20(24-12)17(11-23-25)13-3-7-15(21)8-4-13/h3-11H,22H2,1-2H3
InChIKeyOHTPSXSLYSUEHE-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.10
Rot. Bonds3

About 3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1481761) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1481761
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nc3c(-c4ccc(F)cc4)cnn3c2N)cc1
InChIInChI=1S/C20H17FN4O/c1-12-18(14-5-9-16(26-2)10-6-14)19(22)25-20(24-12)17(11-23-25)13-3-7-15(21)8-4-13/h3-11H,22H2,1-2H3
InChIKeyOHTPSXSLYSUEHE-UHFFFAOYSA-N
XLogP4.10
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1481761) is 3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C)nc3c(-c4ccc(F)cc4)cnn3c2N)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OHTPSXSLYSUEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-12-18(14-5-9-16(26-2)10-6-14)19(22)25-20(24-12)17(11-23-25)13-3-7-15(21)8-4-13/h3-11H,22H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 348.38 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1481761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).