N-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C15H20F3N3O — CID 650832

IUPACN-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NC1CCCC1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)14-11-7-3-4-8-12(11)21(20-14)9-13(22)19-10-5-1-2-6-10/h10H,1-9H2,(H,19,22)
InChIKeyYVJORNHJEOFSFW-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.84
Rot. Bonds3

About N-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 650832) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID650832
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC NameN-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NC1CCCC1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)14-11-7-3-4-8-12(11)21(20-14)9-13(22)19-10-5-1-2-6-10/h10H,1-9H2,(H,19,22)
InChIKeyYVJORNHJEOFSFW-UHFFFAOYSA-N
XLogP2.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 650832) is N-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is YVJORNHJEOFSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)14-11-7-3-4-8-12(11)21(20-14)9-13(22)19-10-5-1-2-6-10/h10H,1-9H2,(H,19,22).
What are the key properties of N-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 315.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 650832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).