N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide

C18H16BrN3O3 — CID 35275522

IUPACN-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-n3cc(Br)cn3)cc2)c(OC)c1
InChIInChI=1S/C18H16BrN3O3/c1-24-15-7-8-16(17(9-15)25-2)18(23)21-13-3-5-14(6-4-13)22-11-12(19)10-20-22/h3-11H,1-2H3,(H,21,23)
InChIKeyBIGKHRVDLAQJFE-UHFFFAOYSA-N
MW402.25 g/mol
LogP3.90
Rot. Bonds5

About N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide

N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide (PubChem CID 35275522) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide
PubChem CID35275522
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC NameN-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-n3cc(Br)cn3)cc2)c(OC)c1
InChIInChI=1S/C18H16BrN3O3/c1-24-15-7-8-16(17(9-15)25-2)18(23)21-13-3-5-14(6-4-13)22-11-12(19)10-20-22/h3-11H,1-2H3,(H,21,23)
InChIKeyBIGKHRVDLAQJFE-UHFFFAOYSA-N
XLogP3.90
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide
CID 35275447
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 19282928
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
CID 100803459
4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 38761795
N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide
CID 81487581
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide
CID 17336206
5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 35537874
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide
CID 35761483
N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 5306879

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide (CID 35275522) is N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(-n3cc(Br)cn3)cc2)c(OC)c1.
What is the InChIKey of N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide?
The InChIKey is BIGKHRVDLAQJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-24-15-7-8-16(17(9-15)25-2)18(23)21-13-3-5-14(6-4-13)22-11-12(19)10-20-22/h3-11H,1-2H3,(H,21,23).
What are the key properties of N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide?
N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide has a molecular weight of 402.25 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 35275522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).