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

C10H7BrClN3O — CID 55208813

IUPACN-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Cl)c1ccn[nH]1
InChIInChI=1S/C10H7BrClN3O/c11-6-1-2-7(12)9(5-6)14-10(16)8-3-4-13-15-8/h1-5H,(H,13,15)(H,14,16)
InChIKeyWFXZPYLCRVNOAB-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.08
Rot. Bonds2

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

N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 55208813) has the molecular formula C10H7BrClN3O and a molecular weight of 300.54 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID55208813
Molecular FormulaC10H7BrClN3O
Molecular Weight300.54 g/mol
Exact Mass298.95
IUPAC NameN-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Cl)c1ccn[nH]1
InChIInChI=1S/C10H7BrClN3O/c11-6-1-2-7(12)9(5-6)14-10(16)8-3-4-13-15-8/h1-5H,(H,13,15)(H,14,16)
InChIKeyWFXZPYLCRVNOAB-UHFFFAOYSA-N
XLogP3.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 68952080
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CID 63080337
N-(4-bromo-2-carbamothioylphenyl)-1H-pyrazole-5-carboxamide
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N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
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3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
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N-(5-bromo-2-chlorophenyl)-1,2-oxazole-5-carboxamide
CID 55211541
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CID 63086291
N-(5-bromo-2-chlorophenyl)-1H-indazole-6-carboxamide
CID 62909267
N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 43806529
N-(5-bromo-2-chlorophenyl)-2-hydrazinylpyridine-4-carboxamide
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4-bromo-N-(2,5-dichlorophenyl)benzamide
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CID 62908932

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide (CID 55208813) is N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cc(Br)ccc1Cl)c1ccn[nH]1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WFXZPYLCRVNOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O/c11-6-1-2-7(12)9(5-6)14-10(16)8-3-4-13-15-8/h1-5H,(H,13,15)(H,14,16).
What are the key properties of N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide?
N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 300.54 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55208813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).