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

C11H10BrN3O2 — CID 19511239

IUPAC4-bromo-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2[nH]ncc2Br)c1
InChIInChI=1S/C11H10BrN3O2/c1-17-8-4-2-3-7(5-8)14-11(16)10-9(12)6-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKeyZUTVHFLZUIMRSA-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.43
Rot. Bonds3

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

4-bromo-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19511239) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 4-bromo-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19511239
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name4-bromo-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2[nH]ncc2Br)c1
InChIInChI=1S/C11H10BrN3O2/c1-17-8-4-2-3-7(5-8)14-11(16)10-9(12)6-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKeyZUTVHFLZUIMRSA-UHFFFAOYSA-N
XLogP2.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19511239) is 4-bromo-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cccc(NC(=O)c2[nH]ncc2Br)c1.
What is the InChIKey of 4-bromo-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZUTVHFLZUIMRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-17-8-4-2-3-7(5-8)14-11(16)10-9(12)6-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16).
What are the key properties of 4-bromo-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
4-bromo-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 296.12 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19511239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).