2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine

C11H16F3N3 — CID 62113041

IUPAC2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1n[nH]c2c1CCCCC2
InChIInChI=1S/C11H16F3N3/c12-11(13,14)7-15-6-10-8-4-2-1-3-5-9(8)16-17-10/h15H,1-7H2,(H,16,17)
InChIKeyNAGFRUDKUNXNDQ-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.33
Rot. Bonds3

About 2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine

2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine (PubChem CID 62113041) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine
PubChem CID62113041
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1n[nH]c2c1CCCCC2
InChIInChI=1S/C11H16F3N3/c12-11(13,14)7-15-6-10-8-4-2-1-3-5-9(8)16-17-10/h15H,1-7H2,(H,16,17)
InChIKeyNAGFRUDKUNXNDQ-UHFFFAOYSA-N
XLogP2.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine (CID 62113041) is 2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine is FC(F)(F)CNCc1n[nH]c2c1CCCCC2.
What is the InChIKey of 2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine?
The InChIKey is NAGFRUDKUNXNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c12-11(13,14)7-15-6-10-8-4-2-1-3-5-9(8)16-17-10/h15H,1-7H2,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine has a molecular weight of 247.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 62113041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).