3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C14H13BrF3N3O — CID 35322160

IUPAC3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCn1cc(Br)cn1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13BrF3N3O/c15-12-8-20-21(9-12)5-4-13(22)19-7-10-2-1-3-11(6-10)14(16,17)18/h1-3,6,8-9H,4-5,7H2,(H,19,22)
InChIKeyWIPTWLNVSZRDDW-UHFFFAOYSA-N
MW376.18 g/mol
LogP3.37
Rot. Bonds5

About 3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 35322160) has the molecular formula C14H13BrF3N3O and a molecular weight of 376.18 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID35322160
Molecular FormulaC14H13BrF3N3O
Molecular Weight376.18 g/mol
Exact Mass375.02
IUPAC Name3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCn1cc(Br)cn1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13BrF3N3O/c15-12-8-20-21(9-12)5-4-13(22)19-7-10-2-1-3-11(6-10)14(16,17)18/h1-3,6,8-9H,4-5,7H2,(H,19,22)
InChIKeyWIPTWLNVSZRDDW-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.18
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19561838
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
2-(1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 3299775
1-[2-(4-bromopyrazol-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 17300291
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 18105827
1-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19482868
1-[3-(benzylamino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622542
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 24536933
1-methyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid
CID 29095638
3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 60842789
2-pyrimidin-2-ylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 4271129

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 35322160) is 3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CCn1cc(Br)cn1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is WIPTWLNVSZRDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3O/c15-12-8-20-21(9-12)5-4-13(22)19-7-10-2-1-3-11(6-10)14(16,17)18/h1-3,6,8-9H,4-5,7H2,(H,19,22).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 376.18 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 35322160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).