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

C19H15FN4 — CID 1472663

IUPAC3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccc(F)cc3)cnn2c(N)c1-c1ccccc1
InChIInChI=1S/C19H15FN4/c1-12-17(14-5-3-2-4-6-14)18(21)24-19(23-12)16(11-22-24)13-7-9-15(20)10-8-13/h2-11H,21H2,1H3
InChIKeyHOXLUNPGBHFNJP-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.09
Rot. Bonds2

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

3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1472663) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1472663
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC Name3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccc(F)cc3)cnn2c(N)c1-c1ccccc1
InChIInChI=1S/C19H15FN4/c1-12-17(14-5-3-2-4-6-14)18(21)24-19(23-12)16(11-22-24)13-7-9-15(20)10-8-13/h2-11H,21H2,1H3
InChIKeyHOXLUNPGBHFNJP-UHFFFAOYSA-N
XLogP4.09
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1472663) is 3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2c(-c3ccc(F)cc3)cnn2c(N)c1-c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HOXLUNPGBHFNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c1-12-17(14-5-3-2-4-6-14)18(21)24-19(23-12)16(11-22-24)13-7-9-15(20)10-8-13/h2-11H,21H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 318.36 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1472663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).