N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine

C24H29F6N5O2 — CID 145315975

About N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine

N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 145315975) has the molecular formula C24H29F6N5O2 and a molecular weight of 533.52 g/mol. Its IUPAC name is N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

• Compound Name: N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
• PubChem CID: 145315975
• Molecular Formula: C24H29F6N5O2
• Molecular Weight: 533.52 g/mol
• Exact Mass: 533.22
• IUPAC Name: N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
• SMILES: CC(=O)N(C)c1cnn(C(=O)N2CC3CCCC3C2)c1.CNCc1cc(C(F)(F)F)ccc1C(F)(F)F
• InChI: InChI=1S/C14H20N4O2.C10H9F6N/c1-10(19)16(2)13-6-15-18(9-13)14(20)17-7-11-4-3-5-12(11)8-17;1-17-5-6-4-7(9(11,12)13)2-3-8(6)10(14,15)16/h6,9,11-12H,3-5,7-8H2,1-2H3;2-4,17H,5H2,1H3
• InChIKey: ACGXASSNLITKSB-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.52
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine?

The IUPAC name of N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine (CID 145315975) is N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine.

What is the SMILES notation for N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine?

The canonical SMILES for N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine is CC(=O)N(C)c1cnn(C(=O)N2CC3CCCC3C2)c1.CNCc1cc(C(F)(F)F)ccc1C(F)(F)F.

What is the InChIKey of N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine?

The InChIKey is ACGXASSNLITKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.C10H9F6N/c1-10(19)16(2)13-6-15-18(9-13)14(20)17-7-11-4-3-5-12(11)8-17;1-17-5-6-4-7(9(11,12)13)2-3-8(6)10(14,15)16/h6,9,11-12H,3-5,7-8H2,1-2H3;2-4,17H,5H2,1H3.

What are the key properties of N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine?

N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 533.52 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 145315975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).