N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide

C16H19BrFN5O — CID 175649467

IUPACN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C16H19BrFN5O/c1-21-10-11(8-20-21)16(24)22(2)13-3-5-23(6-4-13)15-14(18)7-12(17)9-19-15/h7-10,13H,3-6H2,1-2H3
InChIKeyBHCPQHURAFONKI-UHFFFAOYSA-N
MW396.26 g/mol
LogP2.46
Rot. Bonds3

About N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide

N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 175649467) has the molecular formula C16H19BrFN5O and a molecular weight of 396.26 g/mol. Its IUPAC name is N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID175649467
Molecular FormulaC16H19BrFN5O
Molecular Weight396.26 g/mol
Exact Mass395.08
IUPAC NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C16H19BrFN5O/c1-21-10-11(8-20-21)16(24)22(2)13-3-5-23(6-4-13)15-14(18)7-12(17)9-19-15/h7-10,13H,3-6H2,1-2H3
InChIKeyBHCPQHURAFONKI-UHFFFAOYSA-N
XLogP2.46
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650857
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175649076
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175648252
N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175648675
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-N,1-dimethylpyrazole-4-carboxamide
CID 172903018
N,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175650530
N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175651005
N,1-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175650443
5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
CID 104919102
N,1-dimethyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175648257
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172881149
N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide
CID 163350293

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide (CID 175649467) is N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1)C1CCN(c2ncc(Br)cc2F)CC1.
What is the InChIKey of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is BHCPQHURAFONKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN5O/c1-21-10-11(8-20-21)16(24)22(2)13-3-5-23(6-4-13)15-14(18)7-12(17)9-19-15/h7-10,13H,3-6H2,1-2H3.
What are the key properties of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 396.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 175649467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).