2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide

C18H16BrN3O3 — CID 56552729

IUPAC2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cc(-c3ccccc3OC)[nH]n2)c1
InChIInChI=1S/C18H16BrN3O3/c1-24-11-7-8-14(19)13(9-11)18(23)20-17-10-15(21-22-17)12-5-3-4-6-16(12)25-2/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKeyOMXCTIWYMCDXGS-UHFFFAOYSA-N
MW402.25 g/mol
LogP4.11
Rot. Bonds5

About 2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide

2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 56552729) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
PubChem CID56552729
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cc(-c3ccccc3OC)[nH]n2)c1
InChIInChI=1S/C18H16BrN3O3/c1-24-11-7-8-14(19)13(9-11)18(23)20-17-10-15(21-22-17)12-5-3-4-6-16(12)25-2/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKeyOMXCTIWYMCDXGS-UHFFFAOYSA-N
XLogP4.11
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552510
4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566131
2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide
CID 62877597
3,4,5-trimethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-nitrobenzamide
CID 56552794
N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 56552544
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 51099249
2-(4-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]acetamide
CID 51098942
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56552567
4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 51099258
N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide
CID 61292962
5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 56552513
2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218207

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide (CID 56552729) is 2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide is COc1ccc(Br)c(C(=O)Nc2cc(-c3ccccc3OC)[nH]n2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is OMXCTIWYMCDXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-24-11-7-8-14(19)13(9-11)18(23)20-17-10-15(21-22-17)12-5-3-4-6-16(12)25-2/h3-10H,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide?
2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 402.25 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 56552729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).