4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide

C11H9Br2N3O2 — CID 19508436

IUPAC4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2n[nH]c(Br)c2Br)c1
InChIInChI=1S/C11H9Br2N3O2/c1-18-7-4-2-3-6(5-7)14-11(17)9-8(12)10(13)16-15-9/h2-5H,1H3,(H,14,17)(H,15,16)
InChIKeyQNKVPIGZBKDHBT-UHFFFAOYSA-N
MW375.02 g/mol
LogP3.20
Rot. Bonds3

About 4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide

4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508436) has the molecular formula C11H9Br2N3O2 and a molecular weight of 375.02 g/mol. Its IUPAC name is 4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
PubChem CID19508436
Molecular FormulaC11H9Br2N3O2
Molecular Weight375.02 g/mol
Exact Mass372.91
IUPAC Name4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2n[nH]c(Br)c2Br)c1
InChIInChI=1S/C11H9Br2N3O2/c1-18-7-4-2-3-6(5-7)14-11(17)9-8(12)10(13)16-15-9/h2-5H,1H3,(H,14,17)(H,15,16)
InChIKeyQNKVPIGZBKDHBT-UHFFFAOYSA-N
XLogP3.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.02
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide
CID 21241368
4,5-dibromo-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508537
N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683979
3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866755
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 46673484
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 110691156
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide
CID 112705642
2-amino-N-(3-methoxyphenyl)-5-methylbenzamide
CID 55069541
4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 4617866

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide (CID 19508436) is 4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide is COc1cccc(NC(=O)c2n[nH]c(Br)c2Br)c1.
What is the InChIKey of 4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is QNKVPIGZBKDHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O2/c1-18-7-4-2-3-6(5-7)14-11(17)9-8(12)10(13)16-15-9/h2-5H,1H3,(H,14,17)(H,15,16).
What are the key properties of 4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide?
4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 375.02 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).