1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine

C12H12N4 — CID 141216183

IUPAC1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine
SMILESCc1cc(-n2ccc3cccnc32)n(C)n1
InChIInChI=1S/C12H12N4/c1-9-8-11(15(2)14-9)16-7-5-10-4-3-6-13-12(10)16/h3-8H,1-2H3
InChIKeyAHNRKQHSLCTBCH-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.07
Rot. Bonds1

About 1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine

1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine (PubChem CID 141216183) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine
PubChem CID141216183
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine
SMILESCc1cc(-n2ccc3cccnc32)n(C)n1
InChIInChI=1S/C12H12N4/c1-9-8-11(15(2)14-9)16-7-5-10-4-3-6-13-12(10)16/h3-8H,1-2H3
InChIKeyAHNRKQHSLCTBCH-UHFFFAOYSA-N
XLogP2.07
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine
CID 141216147
1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110626
1-methylpyrrolo[2,3-b]pyridine;propane
CID 144881648
1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 151593977
1-[4-[4-methyl-6-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine
CID 126561534
1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole
CID 141216164
tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane
CID 138972796
ethane;1-methylpyrrolo[2,3-b]pyridine;toluene
CID 143220810
1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine
CID 175818922
2-(2,5-dimethylpyrazol-3-yl)indazole
CID 142700945

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine (CID 141216183) is 1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine is Cc1cc(-n2ccc3cccnc32)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is AHNRKQHSLCTBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-9-8-11(15(2)14-9)16-7-5-10-4-3-6-13-12(10)16/h3-8H,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine?
1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 212.26 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141216183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).