5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C22H19F3N4 — CID 34956472

IUPAC5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N[C@H](C)c2ccccc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1
InChIInChI=1S/C22H19F3N4/c1-14-13-18(27-15(2)16-9-5-3-6-10-16)29-21(26-14)19(17-11-7-4-8-12-17)20(28-29)22(23,24)25/h3-13,15,27H,1-2H3/t15-/m1/s1
InChIKeyXNIDAVYQAOSTBL-OAHLLOKOSA-N
MW396.42 g/mol
LogP5.90
Rot. Bonds4

About 5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 34956472) has the molecular formula C22H19F3N4 and a molecular weight of 396.42 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID34956472
Molecular FormulaC22H19F3N4
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N[C@H](C)c2ccccc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1
InChIInChI=1S/C22H19F3N4/c1-14-13-18(27-15(2)16-9-5-3-6-10-16)29-21(26-14)19(17-11-7-4-8-12-17)20(28-29)22(23,24)25/h3-13,15,27H,1-2H3/t15-/m1/s1
InChIKeyXNIDAVYQAOSTBL-OAHLLOKOSA-N
XLogP5.90
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 34956472) is 5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N[C@H](C)c2ccccc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1.
What is the InChIKey of 5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XNIDAVYQAOSTBL-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19F3N4/c1-14-13-18(27-15(2)16-9-5-3-6-10-16)29-21(26-14)19(17-11-7-4-8-12-17)20(28-29)22(23,24)25/h3-13,15,27H,1-2H3/t15-/m1/s1.
What are the key properties of 5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 396.42 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 34956472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).