(5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine

C13H14FN3 — CID 67984654

IUPAC(5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESC[C@H]1CCc2c(cnn2-c2ccc(F)cc2)N1
InChIInChI=1S/C13H14FN3/c1-9-2-7-13-12(16-9)8-15-17(13)11-5-3-10(14)4-6-11/h3-6,8-9,16H,2,7H2,1H3/t9-/m0/s1
InChIKeyBPCOMQZTCGPOTC-VIFPVBQESA-N
MW231.27 g/mol
LogP2.76
Rot. Bonds1

About (5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine

(5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (PubChem CID 67984654) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is (5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name(5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
PubChem CID67984654
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name(5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESC[C@H]1CCc2c(cnn2-c2ccc(F)cc2)N1
InChIInChI=1S/C13H14FN3/c1-9-2-7-13-12(16-9)8-15-17(13)11-5-3-10(14)4-6-11/h3-6,8-9,16H,2,7H2,1H3/t9-/m0/s1
InChIKeyBPCOMQZTCGPOTC-VIFPVBQESA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The IUPAC name of (5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (CID 67984654) is (5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.
What is the SMILES notation for (5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The canonical SMILES for (5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is C[C@H]1CCc2c(cnn2-c2ccc(F)cc2)N1.
What is the InChIKey of (5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The InChIKey is BPCOMQZTCGPOTC-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-2-7-13-12(16-9)8-15-17(13)11-5-3-10(14)4-6-11/h3-6,8-9,16H,2,7H2,1H3/t9-/m0/s1.
What are the key properties of (5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
(5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine has a molecular weight of 231.27 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is sourced from PubChem (CID 67984654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).