(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine

C23H27FN4 — CID 45487911

IUPAC(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine
SMILESN[C@@H](CCN1CCC[C@H]1c1ccn(-c2ccccc2)n1)Cc1ccccc1F
InChIInChI=1S/C23H27FN4/c24-21-10-5-4-7-18(21)17-19(25)12-15-27-14-6-11-23(27)22-13-16-28(26-22)20-8-2-1-3-9-20/h1-5,7-10,13,16,19,23H,6,11-12,14-15,17,25H2/t19-,23-/m0/s1
InChIKeyZVPRRHXYXNCDIG-CVDCTZTESA-N
MW378.50 g/mol
LogP4.11
Rot. Bonds7

About (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine

(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine (PubChem CID 45487911) has the molecular formula C23H27FN4 and a molecular weight of 378.50 g/mol. Its IUPAC name is (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine
PubChem CID45487911
Molecular FormulaC23H27FN4
Molecular Weight378.50 g/mol
Exact Mass378.22
IUPAC Name(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine
SMILESN[C@@H](CCN1CCC[C@H]1c1ccn(-c2ccccc2)n1)Cc1ccccc1F
InChIInChI=1S/C23H27FN4/c24-21-10-5-4-7-18(21)17-19(25)12-15-27-14-6-11-23(27)22-13-16-28(26-22)20-8-2-1-3-9-20/h1-5,7-10,13,16,19,23H,6,11-12,14-15,17,25H2/t19-,23-/m0/s1
InChIKeyZVPRRHXYXNCDIG-CVDCTZTESA-N
XLogP4.11
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine?
The IUPAC name of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine (CID 45487911) is (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine.
What is the SMILES notation for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine?
The canonical SMILES for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine is N[C@@H](CCN1CCC[C@H]1c1ccn(-c2ccccc2)n1)Cc1ccccc1F.
What is the InChIKey of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine?
The InChIKey is ZVPRRHXYXNCDIG-CVDCTZTESA-N. The full InChI is InChI=1S/C23H27FN4/c24-21-10-5-4-7-18(21)17-19(25)12-15-27-14-6-11-23(27)22-13-16-28(26-22)20-8-2-1-3-9-20/h1-5,7-10,13,16,19,23H,6,11-12,14-15,17,25H2/t19-,23-/m0/s1.
What are the key properties of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine?
(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine has a molecular weight of 378.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(1-phenylpyrazol-3-yl)pyrrolidin-1-yl]butan-2-amine is sourced from PubChem (CID 45487911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).