[7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine

C20H16F2N4 — CID 11515836

IUPAC[7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2cc(-c3ccccc3)nn2c(-c2ccc(F)cc2F)c1CN
InChIInChI=1S/C20H16F2N4/c1-12-16(11-23)20(15-8-7-14(21)9-17(15)22)26-19(24-12)10-18(25-26)13-5-3-2-4-6-13/h2-10H,11,23H2,1H3
InChIKeyISAHKCCNKLJULK-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.11
Rot. Bonds3

About [7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine

[7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 11515836) has the molecular formula C20H16F2N4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
PubChem CID11515836
Molecular FormulaC20H16F2N4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2cc(-c3ccccc3)nn2c(-c2ccc(F)cc2F)c1CN
InChIInChI=1S/C20H16F2N4/c1-12-16(11-23)20(15-8-7-14(21)9-17(15)22)26-19(24-12)10-18(25-26)13-5-3-2-4-6-13/h2-10H,11,23H2,1H3
InChIKeyISAHKCCNKLJULK-UHFFFAOYSA-N
XLogP4.11
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine (CID 11515836) is [7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine is Cc1nc2cc(-c3ccccc3)nn2c(-c2ccc(F)cc2F)c1CN.
What is the InChIKey of [7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The InChIKey is ISAHKCCNKLJULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4/c1-12-16(11-23)20(15-8-7-14(21)9-17(15)22)26-19(24-12)10-18(25-26)13-5-3-2-4-6-13/h2-10H,11,23H2,1H3.
What are the key properties of [7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
[7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine has a molecular weight of 350.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11515836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).