N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C15H14BrF3N4O — CID 19563799

IUPACN-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESO=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(Br)cn1
InChIInChI=1S/C15H14BrF3N4O/c16-10-3-4-13(20-8-10)21-14(24)5-6-23-11(9-1-2-9)7-12(22-23)15(17,18)19/h3-4,7-9H,1-2,5-6H2,(H,20,21,24)
InChIKeyUPIYYWXXOHEGFZ-UHFFFAOYSA-N
MW403.20 g/mol
LogP3.97
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19563799) has the molecular formula C15H14BrF3N4O and a molecular weight of 403.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19563799
Molecular FormulaC15H14BrF3N4O
Molecular Weight403.20 g/mol
Exact Mass402.03
IUPAC NameN-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESO=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(Br)cn1
InChIInChI=1S/C15H14BrF3N4O/c16-10-3-4-13(20-8-10)21-14(24)5-6-23-11(9-1-2-9)7-12(22-23)15(17,18)19/h3-4,7-9H,1-2,5-6H2,(H,20,21,24)
InChIKeyUPIYYWXXOHEGFZ-UHFFFAOYSA-N
XLogP3.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.20
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 19564000
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylpropanamide
CID 19563870
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
CID 19563954
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride
CID 19620718
N-(3-chloro-2-methylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563786
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19286518
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 4770006
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 19563906
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19563818
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19335223
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19563919
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19563878

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19563799) is N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is O=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is UPIYYWXXOHEGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N4O/c16-10-3-4-13(20-8-10)21-14(24)5-6-23-11(9-1-2-9)7-12(22-23)15(17,18)19/h3-4,7-9H,1-2,5-6H2,(H,20,21,24).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 403.20 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19563799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).