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

C19H14F2N4 — CID 1474457

IUPAC3,6-bis(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccc(F)cc3)cnn2c(N)c1-c1ccc(F)cc1
InChIInChI=1S/C19H14F2N4/c1-11-17(13-4-8-15(21)9-5-13)18(22)25-19(24-11)16(10-23-25)12-2-6-14(20)7-3-12/h2-10H,22H2,1H3
InChIKeyPSDWHWJVINNOMO-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.23
Rot. Bonds2

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

3,6-bis(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1474457) has the molecular formula C19H14F2N4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3,6-bis(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3,6-bis(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1474457
Molecular FormulaC19H14F2N4
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name3,6-bis(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccc(F)cc3)cnn2c(N)c1-c1ccc(F)cc1
InChIInChI=1S/C19H14F2N4/c1-11-17(13-4-8-15(21)9-5-13)18(22)25-19(24-11)16(10-23-25)12-2-6-14(20)7-3-12/h2-10H,22H2,1H3
InChIKeyPSDWHWJVINNOMO-UHFFFAOYSA-N
XLogP4.23
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3,6-bis(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1474457) is 3,6-bis(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3,6-bis(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3,6-bis(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2c(-c3ccc(F)cc3)cnn2c(N)c1-c1ccc(F)cc1.
What is the InChIKey of 3,6-bis(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PSDWHWJVINNOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4/c1-11-17(13-4-8-15(21)9-5-13)18(22)25-19(24-11)16(10-23-25)12-2-6-14(20)7-3-12/h2-10H,22H2,1H3.
What are the key properties of 3,6-bis(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
3,6-bis(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 336.35 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1474457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).