4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C11H10N4 — CID 46885628

IUPAC4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2ccnc3[nH]ccc23)cn1
InChIInChI=1S/C11H10N4/c1-15-7-8(6-14-15)9-2-4-12-11-10(9)3-5-13-11/h2-7H,1H3,(H,12,13)
InChIKeyIMQVBCRZLIQNPG-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.96
Rot. Bonds1

About 4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 46885628) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID46885628
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2ccnc3[nH]ccc23)cn1
InChIInChI=1S/C11H10N4/c1-15-7-8(6-14-15)9-2-4-12-11-10(9)3-5-13-11/h2-7H,1H3,(H,12,13)
InChIKeyIMQVBCRZLIQNPG-UHFFFAOYSA-N
XLogP1.96
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 46885628) is 4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2ccnc3[nH]ccc23)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IMQVBCRZLIQNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-15-7-8(6-14-15)9-2-4-12-11-10(9)3-5-13-11/h2-7H,1H3,(H,12,13).
What are the key properties of 4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 198.23 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 46885628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).