N-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide

C11H10BrN3O2 — CID 62415638

IUPACN-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)c2ccn[nH]2)c1
InChIInChI=1S/C11H10BrN3O2/c1-17-7-2-3-8(12)10(6-7)14-11(16)9-4-5-13-15-9/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKeyJYROUOAIIAOVDA-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.43
Rot. Bonds3

About N-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 62415638) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID62415638
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC NameN-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)c2ccn[nH]2)c1
InChIInChI=1S/C11H10BrN3O2/c1-17-7-2-3-8(12)10(6-7)14-11(16)9-4-5-13-15-9/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKeyJYROUOAIIAOVDA-UHFFFAOYSA-N
XLogP2.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 62415638) is N-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(Br)c(NC(=O)c2ccn[nH]2)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JYROUOAIIAOVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-17-7-2-3-8(12)10(6-7)14-11(16)9-4-5-13-15-9/h2-6H,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 296.12 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 62415638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).