1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine

C24H34F3N5 — CID 167233409

About 1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine

1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine (PubChem CID 167233409) has the molecular formula C24H34F3N5 and a molecular weight of 449.57 g/mol. Its IUPAC name is 1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine.

Molecular Properties

• Compound Name: 1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine
• PubChem CID: 167233409
• Molecular Formula: C24H34F3N5
• Molecular Weight: 449.57 g/mol
• Exact Mass: 449.28
• IUPAC Name: 1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine
• SMILES: C=C(NC(=C)N1CCC(C)(C(F)(F)F)CC1)NC1=C(CC)CCC(c2cnn(C)c2)=C1C
• InChI: InChI=1S/C24H34F3N5/c1-7-19-8-9-21(20-14-28-31(6)15-20)16(2)22(19)30-17(3)29-18(4)32-12-10-23(5,11-13-32)24(25,26)27/h14-15,29-30H,3-4,7-13H2,1-2,5-6H3
• InChIKey: RVKNQQWQMKTFRY-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 45.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.57
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine?

The IUPAC name of 1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine (CID 167233409) is 1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine.

What is the SMILES notation for 1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine?

The canonical SMILES for 1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine is C=C(NC(=C)N1CCC(C)(C(F)(F)F)CC1)NC1=C(CC)CCC(c2cnn(C)c2)=C1C.

What is the InChIKey of 1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine?

The InChIKey is RVKNQQWQMKTFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N5/c1-7-19-8-9-21(20-14-28-31(6)15-20)16(2)22(19)30-17(3)29-18(4)32-12-10-23(5,11-13-32)24(25,26)27/h14-15,29-30H,3-4,7-13H2,1-2,5-6H3.

What are the key properties of 1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine?

1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine has a molecular weight of 449.57 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[2-ethyl-6-methyl-5-(1-methylpyrazol-4-yl)cyclohexa-1,5-dien-1-yl]-1-N'-[1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]ethenyl]ethene-1,1-diamine is sourced from PubChem (CID 167233409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).