3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C21H22BrN3O3 — CID 55812552

IUPAC3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(Cn3cccn3)cc2)cc1OC
InChIInChI=1S/C21H22BrN3O3/c1-3-11-28-20-18(22)12-16(13-19(20)27-2)21(26)24-17-7-5-15(6-8-17)14-25-10-4-9-23-25/h4-10,12-13H,3,11,14H2,1-2H3,(H,24,26)
InChIKeyDPGLUUNTXXMGCN-UHFFFAOYSA-N
MW444.33 g/mol
LogP4.74
Rot. Bonds8

About 3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 55812552) has the molecular formula C21H22BrN3O3 and a molecular weight of 444.33 g/mol. Its IUPAC name is 3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID55812552
Molecular FormulaC21H22BrN3O3
Molecular Weight444.33 g/mol
Exact Mass443.08
IUPAC Name3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(Cn3cccn3)cc2)cc1OC
InChIInChI=1S/C21H22BrN3O3/c1-3-11-28-20-18(22)12-16(13-19(20)27-2)21(26)24-17-7-5-15(6-8-17)14-25-10-4-9-23-25/h4-10,12-13H,3,11,14H2,1-2H3,(H,24,26)
InChIKeyDPGLUUNTXXMGCN-UHFFFAOYSA-N
XLogP4.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119515602
3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide
CID 55537143
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide
CID 2116480
3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide
CID 37065224
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 4797157
3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55834113

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 55812552) is 3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is CCCOc1c(Br)cc(C(=O)Nc2ccc(Cn3cccn3)cc2)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is DPGLUUNTXXMGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O3/c1-3-11-28-20-18(22)12-16(13-19(20)27-2)21(26)24-17-7-5-15(6-8-17)14-25-10-4-9-23-25/h4-10,12-13H,3,11,14H2,1-2H3,(H,24,26).
What are the key properties of 3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 444.33 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55812552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).