1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine

C12H10F3N3 — CID 82586398

IUPAC1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESFc1ccc(-n2ncc3c2CCNC3)c(F)c1F
InChIInChI=1S/C12H10F3N3/c13-8-1-2-10(12(15)11(8)14)18-9-3-4-16-5-7(9)6-17-18/h1-2,6,16H,3-5H2
InChIKeyJJSDNGGKMLVOIV-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.94
Rot. Bonds1

About 1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine

1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 82586398) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID82586398
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESFc1ccc(-n2ncc3c2CCNC3)c(F)c1F
InChIInChI=1S/C12H10F3N3/c13-8-1-2-10(12(15)11(8)14)18-9-3-4-16-5-7(9)6-17-18/h1-2,6,16H,3-5H2
InChIKeyJJSDNGGKMLVOIV-UHFFFAOYSA-N
XLogP1.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586425
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline
CID 105467862
2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856917
6-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)pyridine-3-carbonitrile
CID 118188991
1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83904565
1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride
CID 162423020
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde
CID 105484597
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid
CID 82586390
1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 105437695
2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline
CID 105452879
1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 172828570
1-(2,3,4-trifluorophenyl)piperazine;hydrochloride
CID 90330803

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 82586398) is 1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is Fc1ccc(-n2ncc3c2CCNC3)c(F)c1F.
What is the InChIKey of 1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is JJSDNGGKMLVOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c13-8-1-2-10(12(15)11(8)14)18-9-3-4-16-5-7(9)6-17-18/h1-2,6,16H,3-5H2.
What are the key properties of 1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 253.23 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 82586398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).