5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide

C12H11ClIN3O — CID 18279909

IUPAC5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H11ClIN3O/c1-7-10(11(13)17(2)16-7)12(18)15-9-5-3-8(14)4-6-9/h3-6H,1-2H3,(H,15,18)
InChIKeyVWTNFIAWYQXNOH-UHFFFAOYSA-N
MW375.60 g/mol
LogP3.24
Rot. Bonds2

About 5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide

5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 18279909) has the molecular formula C12H11ClIN3O and a molecular weight of 375.60 g/mol. Its IUPAC name is 5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID18279909
Molecular FormulaC12H11ClIN3O
Molecular Weight375.60 g/mol
Exact Mass374.96
IUPAC Name5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H11ClIN3O/c1-7-10(11(13)17(2)16-7)12(18)15-9-5-3-8(14)4-6-9/h3-6H,1-2H3,(H,15,18)
InChIKeyVWTNFIAWYQXNOH-UHFFFAOYSA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 47137680
5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279655
N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 47137762
5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 33254001
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 18205048
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
5-chloro-1,3-dimethyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazole-4-carboxamide
CID 31404536
5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 47143740
5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide
CID 59559822
N-(4-ethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281528
N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742269

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 18279909) is 5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is VWTNFIAWYQXNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClIN3O/c1-7-10(11(13)17(2)16-7)12(18)15-9-5-3-8(14)4-6-9/h3-6H,1-2H3,(H,15,18).
What are the key properties of 5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide?
5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 375.60 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 18279909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).