2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide

C15H19BrF3N3O — CID 4769408

IUPAC2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)NC1CCCCC1
InChIInChI=1S/C15H19BrF3N3O/c16-12-13(9-6-7-9)22(21-14(12)15(17,18)19)8-11(23)20-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,20,23)
InChIKeyBZCYHRJLQMRJRE-UHFFFAOYSA-N
MW394.24 g/mol
LogP3.99
Rot. Bonds4

About 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide

2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide (PubChem CID 4769408) has the molecular formula C15H19BrF3N3O and a molecular weight of 394.24 g/mol. Its IUPAC name is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide
PubChem CID4769408
Molecular FormulaC15H19BrF3N3O
Molecular Weight394.24 g/mol
Exact Mass393.07
IUPAC Name2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)NC1CCCCC1
InChIInChI=1S/C15H19BrF3N3O/c16-12-13(9-6-7-9)22(21-14(12)15(17,18)19)8-11(23)20-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,20,23)
InChIKeyBZCYHRJLQMRJRE-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-isobutyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 798599
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 893028
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 1101551
N-cyclohexyl-2-(3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
CID 647534
N-sec-Butyl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 3136365
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-morpholin-4-ylethanone
CID 35294126
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
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 4116900
N-isopropyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 807840

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide (CID 4769408) is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide is O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)NC1CCCCC1.
What is the InChIKey of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide?
The InChIKey is BZCYHRJLQMRJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N3O/c16-12-13(9-6-7-9)22(21-14(12)15(17,18)19)8-11(23)20-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,20,23).
What are the key properties of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide?
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide has a molecular weight of 394.24 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 4769408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).