N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane

C27H43F3N6O3 — CID 167522065

About N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane

N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane (PubChem CID 167522065) has the molecular formula C27H43F3N6O3 and a molecular weight of 556.67 g/mol. Its IUPAC name is N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane.

Molecular Properties

• Compound Name: N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane
• PubChem CID: 167522065
• Molecular Formula: C27H43F3N6O3
• Molecular Weight: 556.67 g/mol
• Exact Mass: 556.33
• IUPAC Name: N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane
• SMILES: CC.CC(C)C.CC1(C)C2CN(C(=O)CNC(=O)C(F)(F)F)CC21.Cc1c(C(C#N)NC=O)cnn1C1CC1
• InChI: InChI=1S/C11H15F3N2O2.C10H12N4O.C4H10.C2H6/c1-10(2)6-4-16(5-7(6)10)8(17)3-15-9(18)11(12,13)14;1-7-9(10(4-11)12-6-15)5-13-14(7)8-2-3-8;1-4(2)3;1-2/h6-7H,3-5H2,1-2H3,(H,15,18);5-6,8,10H,2-3H2,1H3,(H,12,15);4H,1-3H3;1-2H3
• InChIKey: KVHRKCMRXXCQSS-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 120.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.67
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane?

The IUPAC name of N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane (CID 167522065) is N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane.

What is the SMILES notation for N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane?

The canonical SMILES for N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane is CC.CC(C)C.CC1(C)C2CN(C(=O)CNC(=O)C(F)(F)F)CC21.Cc1c(C(C#N)NC=O)cnn1C1CC1.

What is the InChIKey of N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane?

The InChIKey is KVHRKCMRXXCQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2.C10H12N4O.C4H10.C2H6/c1-10(2)6-4-16(5-7(6)10)8(17)3-15-9(18)11(12,13)14;1-7-9(10(4-11)12-6-15)5-13-14(7)8-2-3-8;1-4(2)3;1-2/h6-7H,3-5H2,1-2H3,(H,15,18);5-6,8,10H,2-3H2,1H3,(H,12,15);4H,1-3H3;1-2H3.

What are the key properties of N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane?

N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane has a molecular weight of 556.67 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane is sourced from PubChem (CID 167522065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).