N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide

C8H8BrN5O — CID 58213393

IUPACN-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide
SMILESCn1nc(NC(=O)n2ccnc2)cc1Br
InChIInChI=1S/C8H8BrN5O/c1-13-6(9)4-7(12-13)11-8(15)14-3-2-10-5-14/h2-5H,1H3,(H,11,12,15)
InChIKeyMZAKPQUCBSRJAX-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.46
Rot. Bonds1

About N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide

N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide (PubChem CID 58213393) has the molecular formula C8H8BrN5O and a molecular weight of 270.09 g/mol. Its IUPAC name is N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide
PubChem CID58213393
Molecular FormulaC8H8BrN5O
Molecular Weight270.09 g/mol
Exact Mass268.99
IUPAC NameN-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide
SMILESCn1nc(NC(=O)n2ccnc2)cc1Br
InChIInChI=1S/C8H8BrN5O/c1-13-6(9)4-7(12-13)11-8(15)14-3-2-10-5-14/h2-5H,1H3,(H,11,12,15)
InChIKeyMZAKPQUCBSRJAX-UHFFFAOYSA-N
XLogP1.46
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide?
The IUPAC name of N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide (CID 58213393) is N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide is Cn1nc(NC(=O)n2ccnc2)cc1Br.
What is the InChIKey of N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide?
The InChIKey is MZAKPQUCBSRJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5O/c1-13-6(9)4-7(12-13)11-8(15)14-3-2-10-5-14/h2-5H,1H3,(H,11,12,15).
What are the key properties of N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide?
N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide has a molecular weight of 270.09 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide is sourced from PubChem (CID 58213393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).