N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide

C18H17BrF4N4O2 — CID 166391459

IUPACN-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(C(F)(F)F)C1=O)Nc1nn(Cc2ccccc2F)cc1Br
InChIInChI=1S/C18H17BrF4N4O2/c19-13-9-27(8-11-4-1-2-6-14(11)20)25-16(13)24-15(28)10-26-7-3-5-12(17(26)29)18(21,22)23/h1-2,4,6,9,12H,3,5,7-8,10H2,(H,24,25,28)
InChIKeyCMRFQAJHGJTWAI-UHFFFAOYSA-N
MW477.26 g/mol
LogP3.57
Rot. Bonds5

About N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide

N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 166391459) has the molecular formula C18H17BrF4N4O2 and a molecular weight of 477.26 g/mol. Its IUPAC name is N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID166391459
Molecular FormulaC18H17BrF4N4O2
Molecular Weight477.26 g/mol
Exact Mass476.05
IUPAC NameN-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(C(F)(F)F)C1=O)Nc1nn(Cc2ccccc2F)cc1Br
InChIInChI=1S/C18H17BrF4N4O2/c19-13-9-27(8-11-4-1-2-6-14(11)20)25-16(13)24-15(28)10-26-7-3-5-12(17(26)29)18(21,22)23/h1-2,4,6,9,12H,3,5,7-8,10H2,(H,24,25,28)
InChIKeyCMRFQAJHGJTWAI-UHFFFAOYSA-N
XLogP3.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,2-diphenylacetamide
CID 39854123
1-[3-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470688
tert-butyl N-[1-[2-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate
CID 166391462
2-[3-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492219
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519764
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]acetamide
CID 166391456
1-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-naphthalen-1-ylurea
CID 19405756
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19287684
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide
CID 166391477
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzamide
CID 19287651
1-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-ethylthiourea
CID 19580629
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19524014

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide (CID 166391459) is N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide is O=C(CN1CCCC(C(F)(F)F)C1=O)Nc1nn(Cc2ccccc2F)cc1Br.
What is the InChIKey of N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is CMRFQAJHGJTWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF4N4O2/c19-13-9-27(8-11-4-1-2-6-14(11)20)25-16(13)24-15(28)10-26-7-3-5-12(17(26)29)18(21,22)23/h1-2,4,6,9,12H,3,5,7-8,10H2,(H,24,25,28).
What are the key properties of N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide?
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 477.26 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 166391459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).