(1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine

C20H20F3N3 — CID 44543086

IUPAC(1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine
SMILESC[C@@H](N[C@H](C)c1ccn(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1
InChIInChI=1S/C20H20F3N3/c1-14(16-6-4-3-5-7-16)24-15(2)19-12-13-26(25-19)18-10-8-17(9-11-18)20(21,22)23/h3-15,24H,1-2H3/t14-,15-/m1/s1
InChIKeyVRVCXHIFTPXAPT-HUUCEWRRSA-N
MW359.40 g/mol
LogP5.30
Rot. Bonds5

About (1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine

(1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine (PubChem CID 44543086) has the molecular formula C20H20F3N3 and a molecular weight of 359.40 g/mol. Its IUPAC name is (1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine
PubChem CID44543086
Molecular FormulaC20H20F3N3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name(1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine
SMILESC[C@@H](N[C@H](C)c1ccn(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1
InChIInChI=1S/C20H20F3N3/c1-14(16-6-4-3-5-7-16)24-15(2)19-12-13-26(25-19)18-10-8-17(9-11-18)20(21,22)23/h3-15,24H,1-2H3/t14-,15-/m1/s1
InChIKeyVRVCXHIFTPXAPT-HUUCEWRRSA-N
XLogP5.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-Imidazoline-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-yl]aniline
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(1R)-1-(3-fluorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
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(1R)-1-(3-chlorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
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US11608337, Example 18
CID 132085817

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine?
The IUPAC name of (1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine (CID 44543086) is (1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine.
What is the SMILES notation for (1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine?
The canonical SMILES for (1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine is C[C@@H](N[C@H](C)c1ccn(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine?
The InChIKey is VRVCXHIFTPXAPT-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H20F3N3/c1-14(16-6-4-3-5-7-16)24-15(2)19-12-13-26(25-19)18-10-8-17(9-11-18)20(21,22)23/h3-15,24H,1-2H3/t14-,15-/m1/s1.
What are the key properties of (1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine?
(1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine has a molecular weight of 359.40 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine is sourced from PubChem (CID 44543086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).