2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine

C11H9N5O2 — CID 162474156

IUPAC2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
SMILESCn1ccc(-c2cc3cc([N+](=O)[O-])cnc3[nH]2)n1
InChIInChI=1S/C11H9N5O2/c1-15-3-2-9(14-15)10-5-7-4-8(16(17)18)6-12-11(7)13-10/h2-6H,1H3,(H,12,13)
InChIKeyPTUYOJKZKHGLAY-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.87
Rot. Bonds2

About 2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine

2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162474156) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
PubChem CID162474156
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
SMILESCn1ccc(-c2cc3cc([N+](=O)[O-])cnc3[nH]2)n1
InChIInChI=1S/C11H9N5O2/c1-15-3-2-9(14-15)10-5-7-4-8(16(17)18)6-12-11(7)13-10/h2-6H,1H3,(H,12,13)
InChIKeyPTUYOJKZKHGLAY-UHFFFAOYSA-N
XLogP1.87
TPSA89.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 118466697
3,5-dimethyl-2-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile
CID 175402175
N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine
CID 79779100
potassium;2-[3-(2-methoxyethoxy)phenyl]-5-nitro-1H-pyrrolo[2,3-b]pyridine;2-methylpropan-2-olate
CID 69109687
potassium;2-methylpropan-2-olate;N-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide
CID 158847046
2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide
CID 151041483
4-(1-methylpyrazol-3-yl)-2-nitroaniline
CID 129245750
2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline
CID 12524049
3-[5-(4-fluorophenyl)-2-nitrophenyl]-1-methylpyrazole
CID 169043520
N-(2-iodo-4-nitrophenyl)-1-methylpyrazol-3-amine
CID 79779397
N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 67088839
N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 58227806

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine (CID 162474156) is 2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine is Cn1ccc(-c2cc3cc([N+](=O)[O-])cnc3[nH]2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PTUYOJKZKHGLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-15-3-2-9(14-15)10-5-7-4-8(16(17)18)6-12-11(7)13-10/h2-6H,1H3,(H,12,13).
What are the key properties of 2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine?
2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 243.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162474156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).