N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide

C17H18BrN3O — CID 43068255

IUPACN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(NC(=O)C2CC=CCC2)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C17H18BrN3O/c1-12-10-16(19-17(22)13-6-3-2-4-7-13)21(20-12)15-9-5-8-14(18)11-15/h2-3,5,8-11,13H,4,6-7H2,1H3,(H,19,22)
InChIKeyZCGMNTFXAGLAST-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.24
Rot. Bonds3

About N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide

N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 43068255) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide
PubChem CID43068255
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC NameN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(NC(=O)C2CC=CCC2)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C17H18BrN3O/c1-12-10-16(19-17(22)13-6-3-2-4-7-13)21(20-12)15-9-5-8-14(18)11-15/h2-3,5,8-11,13H,4,6-7H2,1H3,(H,19,22)
InChIKeyZCGMNTFXAGLAST-UHFFFAOYSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide
CID 119729398
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N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide
CID 55643391
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]cyclohex-3-ene-1-carboxamide
CID 47047221
N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43068263
1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide
CID 138992034
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(oxolan-2-ylmethoxy)propanamide
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N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide
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N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55480745
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633108
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52585472
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide (CID 43068255) is N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide is Cc1cc(NC(=O)C2CC=CCC2)n(-c2cccc(Br)c2)n1.
What is the InChIKey of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ZCGMNTFXAGLAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c1-12-10-16(19-17(22)13-6-3-2-4-7-13)21(20-12)15-9-5-8-14(18)11-15/h2-3,5,8-11,13H,4,6-7H2,1H3,(H,19,22).
What are the key properties of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide?
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 360.26 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 43068255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).