(3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C23H24F3N5 — CID 66997443

IUPAC(3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESFC(F)(F)c1cccc(N2C[C@H]3CC[C@H](NCc4cn[nH]c4-c4ccccc4)[C@H]3C2)n1
InChIInChI=1S/C23H24F3N5/c24-23(25,26)20-7-4-8-21(29-20)31-13-16-9-10-19(18(16)14-31)27-11-17-12-28-30-22(17)15-5-2-1-3-6-15/h1-8,12,16,18-19,27H,9-11,13-14H2,(H,28,30)/t16-,18+,19+/m1/s1
InChIKeyKABDTZHYRFYBNQ-NEWSRXKRSA-N
MW427.47 g/mol
LogP4.50
Rot. Bonds5

About (3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

(3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 66997443) has the molecular formula C23H24F3N5 and a molecular weight of 427.47 g/mol. Its IUPAC name is (3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name(3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID66997443
Molecular FormulaC23H24F3N5
Molecular Weight427.47 g/mol
Exact Mass427.20
IUPAC Name(3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESFC(F)(F)c1cccc(N2C[C@H]3CC[C@H](NCc4cn[nH]c4-c4ccccc4)[C@H]3C2)n1
InChIInChI=1S/C23H24F3N5/c24-23(25,26)20-7-4-8-21(29-20)31-13-16-9-10-19(18(16)14-31)27-11-17-12-28-30-22(17)15-5-2-1-3-6-15/h1-8,12,16,18-19,27H,9-11,13-14H2,(H,28,30)/t16-,18+,19+/m1/s1
InChIKeyKABDTZHYRFYBNQ-NEWSRXKRSA-N
XLogP4.50
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of (3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 66997443) is (3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for (3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for (3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is FC(F)(F)c1cccc(N2C[C@H]3CC[C@H](NCc4cn[nH]c4-c4ccccc4)[C@H]3C2)n1.
What is the InChIKey of (3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is KABDTZHYRFYBNQ-NEWSRXKRSA-N. The full InChI is InChI=1S/C23H24F3N5/c24-23(25,26)20-7-4-8-21(29-20)31-13-16-9-10-19(18(16)14-31)27-11-17-12-28-30-22(17)15-5-2-1-3-6-15/h1-8,12,16,18-19,27H,9-11,13-14H2,(H,28,30)/t16-,18+,19+/m1/s1.
What are the key properties of (3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
(3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 427.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6aS)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 66997443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).