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

C21H22F3N5S — CID 77247633

IUPACN-[(5-thiophen-2-yl-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(N2CC3CCC(NCc4cn[nH]c4-c4cccs4)C3C2)n1
InChIInChI=1S/C21H22F3N5S/c22-21(23,24)18-4-1-5-19(27-18)29-11-13-6-7-16(15(13)12-29)25-9-14-10-26-28-20(14)17-3-2-8-30-17/h1-5,8,10,13,15-16,25H,6-7,9,11-12H2,(H,26,28)
InChIKeyUDINUYCHHGEFND-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.56
Rot. Bonds5

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

N-[(5-thiophen-2-yl-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 77247633) has the molecular formula C21H22F3N5S and a molecular weight of 433.50 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-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 NameN-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID77247633
Molecular FormulaC21H22F3N5S
Molecular Weight433.50 g/mol
Exact Mass433.15
IUPAC NameN-[(5-thiophen-2-yl-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(N2CC3CCC(NCc4cn[nH]c4-c4cccs4)C3C2)n1
InChIInChI=1S/C21H22F3N5S/c22-21(23,24)18-4-1-5-19(27-18)29-11-13-6-7-16(15(13)12-29)25-9-14-10-26-28-20(14)17-3-2-8-30-17/h1-5,8,10,13,15-16,25H,6-7,9,11-12H2,(H,26,28)
InChIKeyUDINUYCHHGEFND-UHFFFAOYSA-N
XLogP4.56
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-thiophen-2-yl-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 N-[(5-thiophen-2-yl-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 N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 77247633) is N-[(5-thiophen-2-yl-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 N-[(5-thiophen-2-yl-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 N-[(5-thiophen-2-yl-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(N2CC3CCC(NCc4cn[nH]c4-c4cccs4)C3C2)n1.
What is the InChIKey of N-[(5-thiophen-2-yl-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 UDINUYCHHGEFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5S/c22-21(23,24)18-4-1-5-19(27-18)29-11-13-6-7-16(15(13)12-29)25-9-14-10-26-28-20(14)17-3-2-8-30-17/h1-5,8,10,13,15-16,25H,6-7,9,11-12H2,(H,26,28).
What are the key properties of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
N-[(5-thiophen-2-yl-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 433.50 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-yl-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 77247633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).