N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

C16H17BrF3N5O — CID 171993981

IUPACN-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(c3ncc(C(F)(F)F)cc3Br)CC2)cn1
InChIInChI=1S/C16H17BrF3N5O/c1-24-9-10(7-22-24)15(26)23-12-2-4-25(5-3-12)14-13(17)6-11(8-21-14)16(18,19)20/h6-9,12H,2-5H2,1H3,(H,23,26)
InChIKeyVFDDTVIYKMGZTG-UHFFFAOYSA-N
MW432.24 g/mol
LogP3.00
Rot. Bonds3

About N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 171993981) has the molecular formula C16H17BrF3N5O and a molecular weight of 432.24 g/mol. Its IUPAC name is N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
PubChem CID171993981
Molecular FormulaC16H17BrF3N5O
Molecular Weight432.24 g/mol
Exact Mass431.06
IUPAC NameN-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(c3ncc(C(F)(F)F)cc3Br)CC2)cn1
InChIInChI=1S/C16H17BrF3N5O/c1-24-9-10(7-22-24)15(26)23-12-2-4-25(5-3-12)14-13(17)6-11(8-21-14)16(18,19)20/h6-9,12H,2-5H2,1H3,(H,23,26)
InChIKeyVFDDTVIYKMGZTG-UHFFFAOYSA-N
XLogP3.00
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Bromophenyl)-3-(1-piperidinylcarbonyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 2883904
(6R)-9-fluoro-2,11,13,17,21,22,25-heptazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one
CID 70169195
N-(5-bromopyridin-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 76327451
N-({2-[benzyl(methyl)amino]-3-pyridinyl}methyl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 25380281
N-{[2-(diethylamino)-3-pyridinyl]methyl}-1-ethyl-1H-pyrazole-4-carboxamide
CID 42288426
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 45827641
[6-(Cyclopropylamino)-3-pyridinyl]-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53564833
N-[5-(diethylamino)pentan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide
CID 72024700
5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 122190843
5-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 172438341
5-(4-Bromophenyl)-3-[(4-methyl-1-piperazinyl)carbonyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 2884433
N-(5-bromopyridin-2-yl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 19577927

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (CID 171993981) is N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCN(c3ncc(C(F)(F)F)cc3Br)CC2)cn1.
What is the InChIKey of N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is VFDDTVIYKMGZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrF3N5O/c1-24-9-10(7-22-24)15(26)23-12-2-4-25(5-3-12)14-13(17)6-11(8-21-14)16(18,19)20/h6-9,12H,2-5H2,1H3,(H,23,26).
What are the key properties of N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 432.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 171993981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).