4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

C10H7BrClN3O2 — CID 19511215

IUPAC4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1[nH]ncc1Br
InChIInChI=1S/C10H7BrClN3O2/c11-6-4-13-15-9(6)10(17)14-7-3-5(12)1-2-8(7)16/h1-4,16H,(H,13,15)(H,14,17)
InChIKeyKRNPSPDLAKIHQU-UHFFFAOYSA-N
MW316.54 g/mol
LogP2.78
Rot. Bonds2

About 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19511215) has the molecular formula C10H7BrClN3O2 and a molecular weight of 316.54 g/mol. Its IUPAC name is 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19511215
Molecular FormulaC10H7BrClN3O2
Molecular Weight316.54 g/mol
Exact Mass314.94
IUPAC Name4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1[nH]ncc1Br
InChIInChI=1S/C10H7BrClN3O2/c11-6-4-13-15-9(6)10(17)14-7-3-5(12)1-2-8(7)16/h1-4,16H,(H,13,15)(H,14,17)
InChIKeyKRNPSPDLAKIHQU-UHFFFAOYSA-N
XLogP2.78
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.54
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 16678665
4-bromo-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19511226
4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 55178983
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 19262709
4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19345307
N-(5-chloro-2-hydroxyphenyl)quinoline-2-carboxamide
CID 55369875
N-(5-chloro-2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834611
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19406043
N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262175
N-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 12639723

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (CID 19511215) is 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cc(Cl)ccc1O)c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KRNPSPDLAKIHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O2/c11-6-4-13-15-9(6)10(17)14-7-3-5(12)1-2-8(7)16/h1-4,16H,(H,13,15)(H,14,17).
What are the key properties of 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 316.54 g/mol, XLogP of 2.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19511215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).