3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C13H12F3N3 — CID 57294369

IUPAC3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1cccc(-c2n[nH]c3c2CNCC3)c1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)9-3-1-2-8(6-9)12-10-7-17-5-4-11(10)18-19-12/h1-3,6,17H,4-5,7H2,(H,18,19)
InChIKeyQVXGNZQIWQQFRA-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.74
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 57294369) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID57294369
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1cccc(-c2n[nH]c3c2CNCC3)c1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)9-3-1-2-8(6-9)12-10-7-17-5-4-11(10)18-19-12/h1-3,6,17H,4-5,7H2,(H,18,19)
InChIKeyQVXGNZQIWQQFRA-UHFFFAOYSA-N
XLogP2.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 57294369) is 3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is FC(F)(F)c1cccc(-c2n[nH]c3c2CNCC3)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is QVXGNZQIWQQFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c14-13(15,16)9-3-1-2-8(6-9)12-10-7-17-5-4-11(10)18-19-12/h1-3,6,17H,4-5,7H2,(H,18,19).
What are the key properties of 3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 267.25 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 57294369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).