4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide

C10H11BrN4O — CID 60715458

IUPAC4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide
SMILESCn1ccc(NC(=O)c2cc(Br)cn2C)n1
InChIInChI=1S/C10H11BrN4O/c1-14-6-7(11)5-8(14)10(16)12-9-3-4-15(2)13-9/h3-6H,1-2H3,(H,12,13,16)
InChIKeyGMDHMOVAQOEMQP-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.77
Rot. Bonds2

About 4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide

4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide (PubChem CID 60715458) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide
PubChem CID60715458
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide
SMILESCn1ccc(NC(=O)c2cc(Br)cn2C)n1
InChIInChI=1S/C10H11BrN4O/c1-14-6-7(11)5-8(14)10(16)12-9-3-4-15(2)13-9/h3-6H,1-2H3,(H,12,13,16)
InChIKeyGMDHMOVAQOEMQP-UHFFFAOYSA-N
XLogP1.77
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide (CID 60715458) is 4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide is Cn1ccc(NC(=O)c2cc(Br)cn2C)n1.
What is the InChIKey of 4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide?
The InChIKey is GMDHMOVAQOEMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-14-6-7(11)5-8(14)10(16)12-9-3-4-15(2)13-9/h3-6H,1-2H3,(H,12,13,16).
What are the key properties of 4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide has a molecular weight of 283.13 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(1-methylpyrazol-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 60715458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).