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

C16H13BrF3N5O — CID 19345806

IUPAC4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2[nH]ncc2Br)nn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13BrF3N5O/c1-9-5-13(22-15(26)14-12(17)7-21-23-14)24-25(9)8-10-3-2-4-11(6-10)16(18,19)20/h2-7H,8H2,1H3,(H,21,23)(H,22,24,26)
InChIKeySIDMIKZUJIAWFM-UHFFFAOYSA-N
MW428.21 g/mol
LogP4.00
Rot. Bonds4

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

4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 19345806) has the molecular formula C16H13BrF3N5O and a molecular weight of 428.21 g/mol. Its IUPAC name is 4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID19345806
Molecular FormulaC16H13BrF3N5O
Molecular Weight428.21 g/mol
Exact Mass427.03
IUPAC Name4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2[nH]ncc2Br)nn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13BrF3N5O/c1-9-5-13(22-15(26)14-12(17)7-21-23-14)24-25(9)8-10-3-2-4-11(6-10)16(18,19)20/h2-7H,8H2,1H3,(H,21,23)(H,22,24,26)
InChIKeySIDMIKZUJIAWFM-UHFFFAOYSA-N
XLogP4.00
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.21
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19392877
N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]butanamide
CID 19392878
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19345828
3-methoxy-2-methyl-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19345952
2-ethoxy-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19392892
2,4-dichloro-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19392895
1-methyl-4-[[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]carbamoyl]pyrazole-5-carboxylic acid
CID 19496389
1-butyl-3-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea
CID 19407564
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19345931
2-(4-bromopyrazol-1-yl)-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]butanamide
CID 19392847
4-methoxy-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-nitrobenzamide
CID 19345809
3-[(4-chlorophenoxy)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19345780

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide (CID 19345806) is 4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide is Cc1cc(NC(=O)c2[nH]ncc2Br)nn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is SIDMIKZUJIAWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3N5O/c1-9-5-13(22-15(26)14-12(17)7-21-23-14)24-25(9)8-10-3-2-4-11(6-10)16(18,19)20/h2-7H,8H2,1H3,(H,21,23)(H,22,24,26).
What are the key properties of 4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 428.21 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19345806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).