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

C14H14BrF6N5O — CID 19481057

IUPAC4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)c1c(Br)c(C(F)(F)F)nn1C
InChIInChI=1S/C14H14BrF6N5O/c1-7-6-8(13(16,17)18)23-26(7)5-3-4-22-12(27)10-9(15)11(14(19,20)21)24-25(10)2/h6H,3-5H2,1-2H3,(H,22,27)
InChIKeyXMWGUERDIRDFLX-UHFFFAOYSA-N
MW462.19 g/mol
LogP3.55
Rot. Bonds5

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

4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19481057) has the molecular formula C14H14BrF6N5O and a molecular weight of 462.19 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19481057
Molecular FormulaC14H14BrF6N5O
Molecular Weight462.19 g/mol
Exact Mass461.03
IUPAC Name4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)c1c(Br)c(C(F)(F)F)nn1C
InChIInChI=1S/C14H14BrF6N5O/c1-7-6-8(13(16,17)18)23-26(7)5-3-4-22-12(27)10-9(15)11(14(19,20)21)24-25(10)2/h6H,3-5H2,1-2H3,(H,22,27)
InChIKeyXMWGUERDIRDFLX-UHFFFAOYSA-N
XLogP3.55
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.19
LogP ≤ 53.55
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

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CID 4769624
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CID 19481636
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide
CID 2225442
2-[4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500657
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
CID 19564365
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268292
2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
CID 19537627
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19550281
N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519236
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19516627
2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19520695

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19481057) is 4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1c(Br)c(C(F)(F)F)nn1C.
What is the InChIKey of 4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is XMWGUERDIRDFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF6N5O/c1-7-6-8(13(16,17)18)23-26(7)5-3-4-22-12(27)10-9(15)11(14(19,20)21)24-25(10)2/h6H,3-5H2,1-2H3,(H,22,27).
What are the key properties of 4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 462.19 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19481057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).