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

C12H12FN3 — CID 82586425

IUPAC1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESFc1cccc(-n2ncc3c2CCNC3)c1
InChIInChI=1S/C12H12FN3/c13-10-2-1-3-11(6-10)16-12-4-5-14-7-9(12)8-15-16/h1-3,6,8,14H,4-5,7H2
InChIKeyVAEHBVDXQNRGCZ-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.66
Rot. Bonds1

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

1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 82586425) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID82586425
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESFc1cccc(-n2ncc3c2CCNC3)c1
InChIInChI=1S/C12H12FN3/c13-10-2-1-3-11(6-10)16-12-4-5-14-7-9(12)8-15-16/h1-3,6,8,14H,4-5,7H2
InChIKeyVAEHBVDXQNRGCZ-UHFFFAOYSA-N
XLogP1.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 82586425) is 1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is Fc1cccc(-n2ncc3c2CCNC3)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is VAEHBVDXQNRGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-10-2-1-3-11(6-10)16-12-4-5-14-7-9(12)8-15-16/h1-3,6,8,14H,4-5,7H2.
What are the key properties of 1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 217.25 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 82586425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).