N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide

C15H20F3N3O — CID 97347048

IUPACN-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)N[C@H]1CCCc2cn(C3CCCC3)nc21
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)8-13(22)19-12-7-3-4-10-9-21(20-14(10)12)11-5-1-2-6-11/h9,11-12H,1-8H2,(H,19,22)/t12-/m0/s1
InChIKeyLLKMYRFENCYODF-LBPRGKRZSA-N
MW315.34 g/mol
LogP3.44
Rot. Bonds3

About N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide

N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide (PubChem CID 97347048) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide
PubChem CID97347048
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC NameN-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)N[C@H]1CCCc2cn(C3CCCC3)nc21
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)8-13(22)19-12-7-3-4-10-9-21(20-14(10)12)11-5-1-2-6-11/h9,11-12H,1-8H2,(H,19,22)/t12-/m0/s1
InChIKeyLLKMYRFENCYODF-LBPRGKRZSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide (CID 97347048) is N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)N[C@H]1CCCc2cn(C3CCCC3)nc21.
What is the InChIKey of N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide?
The InChIKey is LLKMYRFENCYODF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)8-13(22)19-12-7-3-4-10-9-21(20-14(10)12)11-5-1-2-6-11/h9,11-12H,1-8H2,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide?
N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide has a molecular weight of 315.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 97347048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).