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

C21H22F3N3 — CID 44542482

IUPAC(1R)-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine
SMILESCC[C@@H](N[C@H](C)c1ccccc1)c1ccn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H22F3N3/c1-3-19(25-15(2)16-7-5-4-6-8-16)20-13-14-27(26-20)18-11-9-17(10-12-18)21(22,23)24/h4-15,19,25H,3H2,1-2H3/t15-,19-/m1/s1
InChIKeySKNFXIHUJHJEBB-DNVCBOLYSA-N
MW373.42 g/mol
LogP5.69
Rot. Bonds6

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

(1R)-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine (PubChem CID 44542482) has the molecular formula C21H22F3N3 and a molecular weight of 373.42 g/mol. Its IUPAC name is (1R)-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine
PubChem CID44542482
Molecular FormulaC21H22F3N3
Molecular Weight373.42 g/mol
Exact Mass373.18
IUPAC Name(1R)-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine
SMILESCC[C@@H](N[C@H](C)c1ccccc1)c1ccn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H22F3N3/c1-3-19(25-15(2)16-7-5-4-6-8-16)20-13-14-27(26-20)18-11-9-17(10-12-18)21(22,23)24/h4-15,19,25H,3H2,1-2H3/t15-,19-/m1/s1
InChIKeySKNFXIHUJHJEBB-DNVCBOLYSA-N
XLogP5.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine?
The IUPAC name of (1R)-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine (CID 44542482) is (1R)-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine.
What is the SMILES notation for (1R)-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine?
The canonical SMILES for (1R)-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine is CC[C@@H](N[C@H](C)c1ccccc1)c1ccn(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of (1R)-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine?
The InChIKey is SKNFXIHUJHJEBB-DNVCBOLYSA-N. The full InChI is InChI=1S/C21H22F3N3/c1-3-19(25-15(2)16-7-5-4-6-8-16)20-13-14-27(26-20)18-11-9-17(10-12-18)21(22,23)24/h4-15,19,25H,3H2,1-2H3/t15-,19-/m1/s1.
What are the key properties of (1R)-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine?
(1R)-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine has a molecular weight of 373.42 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1R)-1-phenylethyl]-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-amine is sourced from PubChem (CID 44542482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).