4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide

C23H21BrClN5O2 — CID 156902294

IUPAC4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
SMILESCc1nn(-c2ccc(NC(=O)c3ccc(OCc4nn(C)cc4Br)cc3)cc2)c(C)c1Cl
InChIInChI=1S/C23H21BrClN5O2/c1-14-22(25)15(2)30(27-14)18-8-6-17(7-9-18)26-23(31)16-4-10-19(11-5-16)32-13-21-20(24)12-29(3)28-21/h4-12H,13H2,1-3H3,(H,26,31)
InChIKeyZTBGWHAHRFIWDU-UHFFFAOYSA-N
MW514.81 g/mol
LogP5.47
Rot. Bonds6

About 4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide

4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide (PubChem CID 156902294) has the molecular formula C23H21BrClN5O2 and a molecular weight of 514.81 g/mol. Its IUPAC name is 4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
PubChem CID156902294
Molecular FormulaC23H21BrClN5O2
Molecular Weight514.81 g/mol
Exact Mass513.06
IUPAC Name4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
SMILESCc1nn(-c2ccc(NC(=O)c3ccc(OCc4nn(C)cc4Br)cc3)cc2)c(C)c1Cl
InChIInChI=1S/C23H21BrClN5O2/c1-14-22(25)15(2)30(27-14)18-8-6-17(7-9-18)26-23(31)16-4-10-19(11-5-16)32-13-21-20(24)12-29(3)28-21/h4-12H,13H2,1-3H3,(H,26,31)
InChIKeyZTBGWHAHRFIWDU-UHFFFAOYSA-N
XLogP5.47
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.81
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-cyanophenyl)methoxy]benzamide
CID 156902361
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
CID 26289954
4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 35532568
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylphenyl)benzamide
CID 26239294
3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 35760792
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522602
4-(2-bromoethoxy)-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]benzamide
CID 156902279
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 35281421
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 32965127
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzamide
CID 26902934
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide (CID 156902294) is 4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide is Cc1nn(-c2ccc(NC(=O)c3ccc(OCc4nn(C)cc4Br)cc3)cc2)c(C)c1Cl.
What is the InChIKey of 4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
The InChIKey is ZTBGWHAHRFIWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrClN5O2/c1-14-22(25)15(2)30(27-14)18-8-6-17(7-9-18)26-23(31)16-4-10-19(11-5-16)32-13-21-20(24)12-29(3)28-21/h4-12H,13H2,1-3H3,(H,26,31).
What are the key properties of 4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide has a molecular weight of 514.81 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 156902294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).