2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide

C14H19BrF3N3O — CID 1101551

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H19BrF3N3O/c1-9-12(15)13(14(16,17)18)19-21(9)8-11(22)20(2)10-6-4-3-5-7-10/h10H,3-8H2,1-2H3
InChIKeyOFWCDNFOZQINNL-UHFFFAOYSA-N
MW382.22 g/mol
LogP3.76
Rot. Bonds3

About 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide (PubChem CID 1101551) has the molecular formula C14H19BrF3N3O and a molecular weight of 382.22 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide
PubChem CID1101551
Molecular FormulaC14H19BrF3N3O
Molecular Weight382.22 g/mol
Exact Mass381.07
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H19BrF3N3O/c1-9-12(15)13(14(16,17)18)19-21(9)8-11(22)20(2)10-6-4-3-5-7-10/h10H,3-8H2,1-2H3
InChIKeyOFWCDNFOZQINNL-UHFFFAOYSA-N
XLogP3.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 1244557
1-(2-Methylpiperidyl)-2-[5-methyl-3-(trifluoromethyl)pyrazolyl]ethan-1-one
CID 649724
N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 749632
2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 813465
2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazolyl]-1-morpholin-4-ylethan-1-one
CID 1100796
1-(Azepan-1-yl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 1101549
2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazolyl]-1-piperidylethan-1-one
CID 1242220
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1716418
2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 35294393
2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone
CID 35294398
2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 35294404
3-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)propan-1-one
CID 35524571

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide (CID 1101551) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide is Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N(C)C1CCCCC1.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is OFWCDNFOZQINNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF3N3O/c1-9-12(15)13(14(16,17)18)19-21(9)8-11(22)20(2)10-6-4-3-5-7-10/h10H,3-8H2,1-2H3.
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 382.22 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 1101551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).