3-methyl-1-phenylpyrazolo[4,5-b]pyridine

C13H11N3 — CID 76847108

IUPAC3-methyl-1-phenylpyrazolo[4,5-b]pyridine
SMILESCc1nn(-c2ccccc2)c2cccnc12
InChIInChI=1S/C13H11N3/c1-10-13-12(8-5-9-14-13)16(15-10)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyBQDHQOACWLMVML-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.73
Rot. Bonds1

About 3-methyl-1-phenylpyrazolo[4,5-b]pyridine

3-methyl-1-phenylpyrazolo[4,5-b]pyridine (PubChem CID 76847108) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-methyl-1-phenylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-1-phenylpyrazolo[4,5-b]pyridine
PubChem CID76847108
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name3-methyl-1-phenylpyrazolo[4,5-b]pyridine
SMILESCc1nn(-c2ccccc2)c2cccnc12
InChIInChI=1S/C13H11N3/c1-10-13-12(8-5-9-14-13)16(15-10)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyBQDHQOACWLMVML-UHFFFAOYSA-N
XLogP2.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine
CID 145011169
4-methyl-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58704078
3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
CID 14067721
6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 11165952
3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole
CID 13409655
CID 6379276
CID 6379276
6-bromo-3-methyl-1-phenylindazole
CID 67449853
3-methyl-1-phenylindazol-5-ol
CID 105481865
3,24-diphenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 122523763
3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline
CID 15882579
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylpyrazolo[4,5-b]pyridine?
The IUPAC name of 3-methyl-1-phenylpyrazolo[4,5-b]pyridine (CID 76847108) is 3-methyl-1-phenylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-1-phenylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-1-phenylpyrazolo[4,5-b]pyridine is Cc1nn(-c2ccccc2)c2cccnc12.
What is the InChIKey of 3-methyl-1-phenylpyrazolo[4,5-b]pyridine?
The InChIKey is BQDHQOACWLMVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-10-13-12(8-5-9-14-13)16(15-10)11-6-3-2-4-7-11/h2-9H,1H3.
What are the key properties of 3-methyl-1-phenylpyrazolo[4,5-b]pyridine?
3-methyl-1-phenylpyrazolo[4,5-b]pyridine has a molecular weight of 209.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 76847108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).