(1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine

C22H24F3N3 — CID 44543087

IUPAC(1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine
SMILESCC(C)[C@@H](N[C@H](C)c1ccccc1)c1ccn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H24F3N3/c1-15(2)21(26-16(3)17-7-5-4-6-8-17)20-13-14-28(27-20)19-11-9-18(10-12-19)22(23,24)25/h4-16,21,26H,1-3H3/t16-,21-/m1/s1
InChIKeyQVYKGSXEOYTESD-IIBYNOLFSA-N
MW387.45 g/mol
LogP5.94
Rot. Bonds6

About (1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine

(1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine (PubChem CID 44543087) has the molecular formula C22H24F3N3 and a molecular weight of 387.45 g/mol. Its IUPAC name is (1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine
PubChem CID44543087
Molecular FormulaC22H24F3N3
Molecular Weight387.45 g/mol
Exact Mass387.19
IUPAC Name(1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine
SMILESCC(C)[C@@H](N[C@H](C)c1ccccc1)c1ccn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H24F3N3/c1-15(2)21(26-16(3)17-7-5-4-6-8-17)20-13-14-28(27-20)19-11-9-18(10-12-19)22(23,24)25/h4-16,21,26H,1-3H3/t16-,21-/m1/s1
InChIKeyQVYKGSXEOYTESD-IIBYNOLFSA-N
XLogP5.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.45
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine?
The IUPAC name of (1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine (CID 44543087) is (1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine.
What is the SMILES notation for (1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine?
The canonical SMILES for (1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine is CC(C)[C@@H](N[C@H](C)c1ccccc1)c1ccn(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of (1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine?
The InChIKey is QVYKGSXEOYTESD-IIBYNOLFSA-N. The full InChI is InChI=1S/C22H24F3N3/c1-15(2)21(26-16(3)17-7-5-4-6-8-17)20-13-14-28(27-20)19-11-9-18(10-12-19)22(23,24)25/h4-16,21,26H,1-3H3/t16-,21-/m1/s1.
What are the key properties of (1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine?
(1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine has a molecular weight of 387.45 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine is sourced from PubChem (CID 44543087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).