ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine

C27H48F3N5O2 — CID 144866525

About ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine

ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 144866525) has the molecular formula C27H48F3N5O2 and a molecular weight of 531.71 g/mol. Its IUPAC name is ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

• Compound Name: ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
• PubChem CID: 144866525
• Molecular Formula: C27H48F3N5O2
• Molecular Weight: 531.71 g/mol
• Exact Mass: 531.38
• IUPAC Name: ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
• SMILES: CC.CC.CC(C)n1ccc(-c2cnc(N)c(OC(F)(F)F)c2)n1.CCN(CCOC)C1CC[C@@H](C)C1
• InChI: InChI=1S/C12H13F3N4O.C11H23NO.2C2H6/c1-7(2)19-4-3-9(18-19)8-5-10(11(16)17-6-8)20-12(13,14)15;1-4-12(7-8-13-3)11-6-5-10(2)9-11;2*1-2/h3-7H,1-2H3,(H2,16,17);10-11H,4-9H2,1-3H3;2*1-2H3/t;10-,11?;;/m.1../s1
• InChIKey: JAHVUCJMQXHITG-LPIRWXDWSA-N
• XLogP: 7.20
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.71
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine?

The IUPAC name of ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine (CID 144866525) is ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine.

What is the SMILES notation for ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine?

The canonical SMILES for ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine is CC.CC.CC(C)n1ccc(-c2cnc(N)c(OC(F)(F)F)c2)n1.CCN(CCOC)C1CC[C@@H](C)C1.

What is the InChIKey of ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine?

The InChIKey is JAHVUCJMQXHITG-LPIRWXDWSA-N. The full InChI is InChI=1S/C12H13F3N4O.C11H23NO.2C2H6/c1-7(2)19-4-3-9(18-19)8-5-10(11(16)17-6-8)20-12(13,14)15;1-4-12(7-8-13-3)11-6-5-10(2)9-11;2*1-2/h3-7H,1-2H3,(H2,16,17);10-11H,4-9H2,1-3H3;2*1-2H3/t;10-,11?;;/m.1../s1.

What are the key properties of ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine?

ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 531.71 g/mol, XLogP of 7.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 144866525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).