N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide

C11H10BrN3O2 — CID 82859447

IUPACN-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(Br)cc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C11H10BrN3O2/c1-17-10-3-8(12)2-9(4-10)15-11(16)7-5-13-14-6-7/h2-6H,1H3,(H,13,14)(H,15,16)
InChIKeyVLDKUWMSUIEFHR-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.43
Rot. Bonds3

About N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide

N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 82859447) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID82859447
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC NameN-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(Br)cc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C11H10BrN3O2/c1-17-10-3-8(12)2-9(4-10)15-11(16)7-5-13-14-6-7/h2-6H,1H3,(H,13,14)(H,15,16)
InChIKeyVLDKUWMSUIEFHR-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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Related Compounds

N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide
CID 82859642
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178
N-(4-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532863
N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide
CID 110604740
N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide
CID 82859109
4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
CID 82867322
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
CID 82858870
3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
CID 104851763
N-(3-bromo-5-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 82867357
3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide
CID 82857386
5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 82860306

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide (CID 82859447) is N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide is COc1cc(Br)cc(NC(=O)c2cn[nH]c2)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is VLDKUWMSUIEFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-17-10-3-8(12)2-9(4-10)15-11(16)7-5-13-14-6-7/h2-6H,1H3,(H,13,14)(H,15,16).
What are the key properties of N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide?
N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-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-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 82859447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).