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

C16H17BrF3N5O — CID 172892155

IUPACN-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCN(c2ncc(C(F)(F)F)cc2Br)C1
InChIInChI=1S/C16H17BrF3N5O/c1-24-13(4-5-22-24)15(26)23-11-3-2-6-25(9-11)14-12(17)7-10(8-21-14)16(18,19)20/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,23,26)
InChIKeyFNGIUJQRMYCVLK-UHFFFAOYSA-N
MW432.24 g/mol
LogP3.00
Rot. Bonds3

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

N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 172892155) 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-3-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide
PubChem CID172892155
Molecular FormulaC16H17BrF3N5O
Molecular Weight432.24 g/mol
Exact Mass431.06
IUPAC NameN-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCN(c2ncc(C(F)(F)F)cc2Br)C1
InChIInChI=1S/C16H17BrF3N5O/c1-24-13(4-5-22-24)15(26)23-11-3-2-6-25(9-11)14-12(17)7-10(8-21-14)16(18,19)20/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,23,26)
InChIKeyFNGIUJQRMYCVLK-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

N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172891424
N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 171993981
2-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-3-carboxamide
CID 124573399
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172891341
2-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125023608
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
CID 172892664
N-[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172892678
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide
CID 175649491
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171994912
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 171326608
N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357365

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide (CID 172892155) is N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCCN(c2ncc(C(F)(F)F)cc2Br)C1.
What is the InChIKey of N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is FNGIUJQRMYCVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrF3N5O/c1-24-13(4-5-22-24)15(26)23-11-3-2-6-25(9-11)14-12(17)7-10(8-21-14)16(18,19)20/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,23,26).
What are the key properties of N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-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-3-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 172892155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).