4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C14H16Br2F3N5O — CID 19268346

IUPAC4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1nn(CCCNC(=O)c2nn(C)c(C(F)(F)F)c2Br)c(C)c1Br
InChIInChI=1S/C14H16Br2F3N5O/c1-7-9(15)8(2)24(21-7)6-4-5-20-13(25)11-10(16)12(14(17,18)19)23(3)22-11/h4-6H2,1-3H3,(H,20,25)
InChIKeyFSYJLMWGTRYXDK-UHFFFAOYSA-N
MW487.12 g/mol
LogP3.60
Rot. Bonds5

About 4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19268346) has the molecular formula C14H16Br2F3N5O and a molecular weight of 487.12 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19268346
Molecular FormulaC14H16Br2F3N5O
Molecular Weight487.12 g/mol
Exact Mass484.97
IUPAC Name4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1nn(CCCNC(=O)c2nn(C)c(C(F)(F)F)c2Br)c(C)c1Br
InChIInChI=1S/C14H16Br2F3N5O/c1-7-9(15)8(2)24(21-7)6-4-5-20-13(25)11-10(16)12(14(17,18)19)23(3)22-11/h4-6H2,1-3H3,(H,20,25)
InChIKeyFSYJLMWGTRYXDK-UHFFFAOYSA-N
XLogP3.60
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.12
LogP ≤ 53.60
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

WO2021250648, Example 72
CID 162396437
2-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]octahydropyrrolo[1,2-a]pyrazine
CID 4155287
4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 4768378
4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide
CID 15766811
4-bromo-N-cyclopropyl-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 19577803
4-bromo-1,5-dimethyl-N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 19578021
1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 19586730
[4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-YL](4-methylpiperazino)methanone
CID 4767862
4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4768998
1-Methyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4769943
4-bromo-N-[3-(4-bromopyrazol-1-yl)propyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4770543
4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4770714

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19268346) is 4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cc1nn(CCCNC(=O)c2nn(C)c(C(F)(F)F)c2Br)c(C)c1Br.
What is the InChIKey of 4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is FSYJLMWGTRYXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2F3N5O/c1-7-9(15)8(2)24(21-7)6-4-5-20-13(25)11-10(16)12(14(17,18)19)23(3)22-11/h4-6H2,1-3H3,(H,20,25).
What are the key properties of 4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 487.12 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).