N-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C17H20F3N5 — CID 77247352

IUPACN-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESFC(F)(F)c1cccc(N2CC3CCC(NCc4cn[nH]c4)C3C2)n1
InChIInChI=1S/C17H20F3N5/c18-17(19,20)15-2-1-3-16(24-15)25-9-12-4-5-14(13(12)10-25)21-6-11-7-22-23-8-11/h1-3,7-8,12-14,21H,4-6,9-10H2,(H,22,23)
InChIKeyUYLKDRMZOYNNPG-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.83
Rot. Bonds4

About N-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

N-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 77247352) has the molecular formula C17H20F3N5 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID77247352
Molecular FormulaC17H20F3N5
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESFC(F)(F)c1cccc(N2CC3CCC(NCc4cn[nH]c4)C3C2)n1
InChIInChI=1S/C17H20F3N5/c18-17(19,20)15-2-1-3-16(24-15)25-9-12-4-5-14(13(12)10-25)21-6-11-7-22-23-8-11/h1-3,7-8,12-14,21H,4-6,9-10H2,(H,22,23)
InChIKeyUYLKDRMZOYNNPG-UHFFFAOYSA-N
XLogP2.83
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-pyrazol-4-ylmethyl)-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 N-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 77247352) is N-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is FC(F)(F)c1cccc(N2CC3CCC(NCc4cn[nH]c4)C3C2)n1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is UYLKDRMZOYNNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5/c18-17(19,20)15-2-1-3-16(24-15)25-9-12-4-5-14(13(12)10-25)21-6-11-7-22-23-8-11/h1-3,7-8,12-14,21H,4-6,9-10H2,(H,22,23).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
N-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 351.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 77247352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).