3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide

C14H13Br2ClN4O2 — CID 143057357

IUPAC3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(Br)cc(Br)c1NC(=O)c1cc(Cl)nn1C
InChIInChI=1S/C14H13Br2ClN4O2/c1-20(2)14(23)8-4-7(15)5-9(16)12(8)18-13(22)10-6-11(17)19-21(10)3/h4-6H,1-3H3,(H,18,22)
InChIKeyFXMPPRLNPXXOCG-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.55
Rot. Bonds3

About 3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide

3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 143057357) has the molecular formula C14H13Br2ClN4O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is 3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID143057357
Molecular FormulaC14H13Br2ClN4O2
Molecular Weight464.55 g/mol
Exact Mass461.91
IUPAC Name3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(Br)cc(Br)c1NC(=O)c1cc(Cl)nn1C
InChIInChI=1S/C14H13Br2ClN4O2/c1-20(2)14(23)8-4-7(15)5-9(16)12(8)18-13(22)10-6-11(17)19-21(10)3/h4-6H,1-3H3,(H,18,22)
InChIKeyFXMPPRLNPXXOCG-UHFFFAOYSA-N
XLogP3.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide (CID 143057357) is 3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide is CN(C)C(=O)c1cc(Br)cc(Br)c1NC(=O)c1cc(Cl)nn1C.
What is the InChIKey of 3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is FXMPPRLNPXXOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2ClN4O2/c1-20(2)14(23)8-4-7(15)5-9(16)12(8)18-13(22)10-6-11(17)19-21(10)3/h4-6H,1-3H3,(H,18,22).
What are the key properties of 3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide?
3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 143057357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).