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

C13H15BrF3N5O — CID 19278224

IUPAC4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1c(CN(C)C(=O)c2nn(C)c(C(F)(F)F)c2Br)cnn1C
InChIInChI=1S/C13H15BrF3N5O/c1-7-8(5-18-21(7)3)6-20(2)12(23)10-9(14)11(13(15,16)17)22(4)19-10/h5H,6H2,1-4H3
InChIKeyGHRWIJIZEHBSEZ-UHFFFAOYSA-N
MW394.20 g/mol
LogP2.52
Rot. Bonds3

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

4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19278224) has the molecular formula C13H15BrF3N5O and a molecular weight of 394.20 g/mol. Its IUPAC name is 4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19278224
Molecular FormulaC13H15BrF3N5O
Molecular Weight394.20 g/mol
Exact Mass393.04
IUPAC Name4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1c(CN(C)C(=O)c2nn(C)c(C(F)(F)F)c2Br)cnn1C
InChIInChI=1S/C13H15BrF3N5O/c1-7-8(5-18-21(7)3)6-20(2)12(23)10-9(14)11(13(15,16)17)22(4)19-10/h5H,6H2,1-4H3
InChIKeyGHRWIJIZEHBSEZ-UHFFFAOYSA-N
XLogP2.52
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.20
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
CID 19456413
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-4-nitropyrazole-3-carboxamide
CID 844685
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 19575688
(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 51390078
4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 17020502
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 17020519
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide
CID 19456491
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide
CID 4769771
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide
CID 19456305
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide
CID 19456480
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
CID 19456466
3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17023519

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19278224) is 4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cc1c(CN(C)C(=O)c2nn(C)c(C(F)(F)F)c2Br)cnn1C.
What is the InChIKey of 4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is GHRWIJIZEHBSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3N5O/c1-7-8(5-18-21(7)3)6-20(2)12(23)10-9(14)11(13(15,16)17)22(4)19-10/h5H,6H2,1-4H3.
What are the key properties of 4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 394.20 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19278224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).