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

C13H15N3 — CID 137067861

IUPAC(4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
SMILESCn1ncc2c1NCC[C@H]2c1ccccc1
InChIInChI=1S/C13H15N3/c1-16-13-12(9-15-16)11(7-8-14-13)10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3/t11-/m0/s1
InChIKeyKICQIGMRMMBQJE-NSHDSACASA-N
MW213.28 g/mol
LogP2.37
Rot. Bonds1

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

(4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine (PubChem CID 137067861) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name(4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
PubChem CID137067861
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name(4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
SMILESCn1ncc2c1NCC[C@H]2c1ccccc1
InChIInChI=1S/C13H15N3/c1-16-13-12(9-15-16)11(7-8-14-13)10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3/t11-/m0/s1
InChIKeyKICQIGMRMMBQJE-NSHDSACASA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
The IUPAC name of (4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine (CID 137067861) is (4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine.
What is the SMILES notation for (4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
The canonical SMILES for (4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine is Cn1ncc2c1NCC[C@H]2c1ccccc1.
What is the InChIKey of (4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
The InChIKey is KICQIGMRMMBQJE-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3/c1-16-13-12(9-15-16)11(7-8-14-13)10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
(4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine has a molecular weight of 213.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine is sourced from PubChem (CID 137067861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).