4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C12H16BrF3N4O — CID 4768998

IUPAC4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2c(Br)c(C(F)(F)F)nn2C)CC1
InChIInChI=1S/C12H16BrF3N4O/c1-19-5-3-7(4-6-19)17-11(21)9-8(13)10(12(14,15)16)18-20(9)2/h7H,3-6H2,1-2H3,(H,17,21)
InChIKeyWCPLWYXQZUXFQG-UHFFFAOYSA-N
MW369.19 g/mol
LogP2.03
Rot. Bonds2

About 4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4768998) has the molecular formula C12H16BrF3N4O and a molecular weight of 369.19 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4768998
Molecular FormulaC12H16BrF3N4O
Molecular Weight369.19 g/mol
Exact Mass368.05
IUPAC Name4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2c(Br)c(C(F)(F)F)nn2C)CC1
InChIInChI=1S/C12H16BrF3N4O/c1-19-5-3-7(4-6-19)17-11(21)9-8(13)10(12(14,15)16)18-20(9)2/h7H,3-6H2,1-2H3,(H,17,21)
InChIKeyWCPLWYXQZUXFQG-UHFFFAOYSA-N
XLogP2.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl](morpholin-4-yl)methanone
CID 4767766
2-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769718
4-Bromo-1,3-dimethyl-N~5~-(1-methyl-2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 4770997
4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 19575349
1-{[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-2-methylpiperidine
CID 2861566
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-1-methyl-N-[1-(propan-2-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 4772166
4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide
CID 15766811
4-bromo-1,3-dimethyl-N-[3-(morpholin-4-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19575485
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4768998) is 4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is CN1CCC(NC(=O)c2c(Br)c(C(F)(F)F)nn2C)CC1.
What is the InChIKey of 4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is WCPLWYXQZUXFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF3N4O/c1-19-5-3-7(4-6-19)17-11(21)9-8(13)10(12(14,15)16)18-20(9)2/h7H,3-6H2,1-2H3,(H,17,21).
What are the key properties of 4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 369.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4768998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).