2-[1-Piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid

C15H20F3N3O2 — CID 133650116

IUPAC2-[1-piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESC1CC(C2=C(C1)N(N=C2C(F)(F)F)C3CCNCC3)CC(=O)O
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)14-13-9(8-12(22)23)2-1-3-11(13)21(20-14)10-4-6-19-7-5-10/h9-10,19H,1-8H2,(H,22,23)
InChIKeyUXGVULKAKPHLLF-UHFFFAOYSA-N
MW331.33 g/mol
LogP-0.60
Rot. Bonds3

About 2-[1-Piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid

2-[1-Piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (PubChem CID 133650116) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[1-piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-Piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
PubChem CID133650116
Molecular FormulaC15H20F3N3O2
Molecular Weight331.33 g/mol
Exact Mass331.15
IUPAC Name2-[1-piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESC1CC(C2=C(C1)N(N=C2C(F)(F)F)C3CCNCC3)CC(=O)O
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)14-13-9(8-12(22)23)2-1-3-11(13)21(20-14)10-4-6-19-7-5-10/h9-10,19H,1-8H2,(H,22,23)
InChIKeyUXGVULKAKPHLLF-UHFFFAOYSA-N
XLogP-0.60
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity440

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-Piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The IUPAC name of 2-[1-Piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (CID 133650116) is 2-[1-piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-Piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-Piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is C1CC(C2=C(C1)N(N=C2C(F)(F)F)C3CCNCC3)CC(=O)O.
What is the InChIKey of 2-[1-Piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The InChIKey is UXGVULKAKPHLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c16-15(17,18)14-13-9(8-12(22)23)2-1-3-11(13)21(20-14)10-4-6-19-7-5-10/h9-10,19H,1-8H2,(H,22,23).
What are the key properties of 2-[1-Piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
2-[1-Piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid has a molecular weight of 331.33 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-Piperidin-4-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is sourced from PubChem (CID 133650116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).