2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide

C14H17BrF3N5O — CID 19537627

IUPAC2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)C(C)n1cc(Br)cn1
InChIInChI=1S/C14H17BrF3N5O/c1-9-6-12(14(16,17)18)21-22(9)5-3-4-19-13(24)10(2)23-8-11(15)7-20-23/h6-8,10H,3-5H2,1-2H3,(H,19,24)
InChIKeyFBYZCUDVTSCOFW-UHFFFAOYSA-N
MW408.22 g/mol
LogP2.94
Rot. Bonds6

About 2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide

2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide (PubChem CID 19537627) has the molecular formula C14H17BrF3N5O and a molecular weight of 408.22 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
PubChem CID19537627
Molecular FormulaC14H17BrF3N5O
Molecular Weight408.22 g/mol
Exact Mass407.06
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)C(C)n1cc(Br)cn1
InChIInChI=1S/C14H17BrF3N5O/c1-9-6-12(14(16,17)18)21-22(9)5-3-4-19-13(24)10(2)23-8-11(15)7-20-23/h6-8,10H,3-5H2,1-2H3,(H,19,24)
InChIKeyFBYZCUDVTSCOFW-UHFFFAOYSA-N
XLogP2.94
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.22
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19537660
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)propanamide
CID 19537675
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19282862
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
CID 19564365
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534766
2-[4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500657
4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481057
1-[1-[3-(4-bromopyrazol-1-yl)propylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505060
2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19520695
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
1-butan-2-yl-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea
CID 19334205
4-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
CID 22207644

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide (CID 19537627) is 2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide is Cc1cc(C(F)(F)F)nn1CCCNC(=O)C(C)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
The InChIKey is FBYZCUDVTSCOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3N5O/c1-9-6-12(14(16,17)18)21-22(9)5-3-4-19-13(24)10(2)23-8-11(15)7-20-23/h6-8,10H,3-5H2,1-2H3,(H,19,24).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide has a molecular weight of 408.22 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide is sourced from PubChem (CID 19537627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).