2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide

C22H23BrF3N5O2 — CID 19519780

IUPAC2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCOc1cccc(Cn2nc(C)c(NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C3CC3)c2C)c1
InChIInChI=1S/C22H23BrF3N5O2/c1-12-19(13(2)30(28-12)10-14-5-4-6-16(9-14)33-3)27-17(32)11-31-20(15-7-8-15)18(23)21(29-31)22(24,25)26/h4-6,9,15H,7-8,10-11H2,1-3H3,(H,27,32)
InChIKeyGUWSXNNVNOPJBA-UHFFFAOYSA-N
MW526.36 g/mol
LogP5.05
Rot. Bonds7

About 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide

2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 19519780) has the molecular formula C22H23BrF3N5O2 and a molecular weight of 526.36 g/mol. Its IUPAC name is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID19519780
Molecular FormulaC22H23BrF3N5O2
Molecular Weight526.36 g/mol
Exact Mass525.10
IUPAC Name2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCOc1cccc(Cn2nc(C)c(NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C3CC3)c2C)c1
InChIInChI=1S/C22H23BrF3N5O2/c1-12-19(13(2)30(28-12)10-14-5-4-6-16(9-14)33-3)27-17(32)11-31-20(15-7-8-15)18(23)21(29-31)22(24,25)26/h4-6,9,15H,7-8,10-11H2,1-3H3,(H,27,32)
InChIKeyGUWSXNNVNOPJBA-UHFFFAOYSA-N
XLogP5.05
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.36
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19525552
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclobutanecarboxamide
CID 35592842
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19523127
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-methoxybenzamide
CID 19394052
4,5-dibromo-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508537
4-chloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19585980
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19526817
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19532846
4-fluoro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408479
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523787
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19525621
2-fluoro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 39853221

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide (CID 19519780) is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide is COc1cccc(Cn2nc(C)c(NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C3CC3)c2C)c1.
What is the InChIKey of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is GUWSXNNVNOPJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrF3N5O2/c1-12-19(13(2)30(28-12)10-14-5-4-6-16(9-14)33-3)27-17(32)11-31-20(15-7-8-15)18(23)21(29-31)22(24,25)26/h4-6,9,15H,7-8,10-11H2,1-3H3,(H,27,32).
What are the key properties of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 526.36 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 19519780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).