N-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

C10H8BrN3O2 — CID 110600708

IUPACN-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cc(=O)[nH][nH]1
InChIInChI=1S/C10H8BrN3O2/c11-6-3-1-2-4-7(6)12-10(16)8-5-9(15)14-13-8/h1-5H,(H,12,16)(H2,13,14,15)
InChIKeyWJZFTVINSBONOX-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.72
Rot. Bonds2

About N-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 110600708) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID110600708
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC NameN-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cc(=O)[nH][nH]1
InChIInChI=1S/C10H8BrN3O2/c11-6-3-1-2-4-7(6)12-10(16)8-5-9(15)14-13-8/h1-5H,(H,12,16)(H2,13,14,15)
InChIKeyWJZFTVINSBONOX-UHFFFAOYSA-N
XLogP1.72
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600652
N-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 43134269
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
(2-bromophenyl)carbamic acid
CID 15021878
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
N-(2-bromophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 43111877
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
N-(2-bromophenyl)-4-(chloromethyl)benzamide
CID 43156285
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
N-(2-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532862

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 110600708) is N-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is O=C(Nc1ccccc1Br)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is WJZFTVINSBONOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c11-6-3-1-2-4-7(6)12-10(16)8-5-9(15)14-13-8/h1-5H,(H,12,16)(H2,13,14,15).
What are the key properties of N-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 282.10 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110600708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).