4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide

C13H11BrN4O — CID 62686203

IUPAC4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1n[nH]c2ccccc12
InChIInChI=1S/C13H11BrN4O/c1-18-7-8(14)6-11(18)13(19)15-12-9-4-2-3-5-10(9)16-17-12/h2-7H,1H3,(H2,15,16,17,19)
InChIKeyQXRJNYUNGJVZON-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.92
Rot. Bonds2

About 4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 62686203) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide
PubChem CID62686203
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1n[nH]c2ccccc12
InChIInChI=1S/C13H11BrN4O/c1-18-7-8(14)6-11(18)13(19)15-12-9-4-2-3-5-10(9)16-17-12/h2-7H,1H3,(H2,15,16,17,19)
InChIKeyQXRJNYUNGJVZON-UHFFFAOYSA-N
XLogP2.92
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide (CID 62686203) is 4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1n[nH]c2ccccc12.
What is the InChIKey of 4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is QXRJNYUNGJVZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-18-7-8(14)6-11(18)13(19)15-12-9-4-2-3-5-10(9)16-17-12/h2-7H,1H3,(H2,15,16,17,19).
What are the key properties of 4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 319.16 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 62686203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).