5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

C22H24Br2I2N10O — CID 165058619

IUPAC5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCCc1c(C#N)nn(Cc2cn(C)nc2I)c1Br.CCc1c(C(N)=O)nn(Cc2cn(C)nc2I)c1Br
InChIInChI=1S/C11H13BrIN5O.C11H11BrIN5/c1-3-7-8(11(14)19)15-18(9(7)12)5-6-4-17(2)16-10(6)13;1-3-8-9(4-14)15-18(10(8)12)6-7-5-17(2)16-11(7)13/h4H,3,5H2,1-2H3,(H2,14,19);5H,3,6H2,1-2H3
InChIKeyQVKQCHDSFIDNFQ-UHFFFAOYSA-N
MW858.12 g/mol
LogP4.16
Rot. Bonds7

About 5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 165058619) has the molecular formula C22H24Br2I2N10O and a molecular weight of 858.12 g/mol. Its IUPAC name is 5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID165058619
Molecular FormulaC22H24Br2I2N10O
Molecular Weight858.12 g/mol
Exact Mass855.86
IUPAC Name5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCCc1c(C#N)nn(Cc2cn(C)nc2I)c1Br.CCc1c(C(N)=O)nn(Cc2cn(C)nc2I)c1Br
InChIInChI=1S/C11H13BrIN5O.C11H11BrIN5/c1-3-7-8(11(14)19)15-18(9(7)12)5-6-4-17(2)16-10(6)13;1-3-8-9(4-14)15-18(10(8)12)6-7-5-17(2)16-11(7)13/h4H,3,5H2,1-2H3,(H2,14,19);5H,3,6H2,1-2H3
InChIKeyQVKQCHDSFIDNFQ-UHFFFAOYSA-N
XLogP4.16
TPSA138.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500858.12
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (CID 165058619) is 5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is CCc1c(C#N)nn(Cc2cn(C)nc2I)c1Br.CCc1c(C(N)=O)nn(Cc2cn(C)nc2I)c1Br.
What is the InChIKey of 5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is QVKQCHDSFIDNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrIN5O.C11H11BrIN5/c1-3-7-8(11(14)19)15-18(9(7)12)5-6-4-17(2)16-10(6)13;1-3-8-9(4-14)15-18(10(8)12)6-7-5-17(2)16-11(7)13/h4H,3,5H2,1-2H3,(H2,14,19);5H,3,6H2,1-2H3.
What are the key properties of 5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 858.12 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carbonitrile;5-bromo-4-ethyl-1-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 165058619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).