4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide

C15H16BrF3N4O2 — CID 56563614

IUPAC4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCc2cccnc2OCC(F)(F)F)c1Br
InChIInChI=1S/C15H16BrF3N4O2/c1-8(2)11-10(16)12(23-22-11)13(24)21-6-9-4-3-5-20-14(9)25-7-15(17,18)19/h3-5,8H,6-7H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyGFSKPFYIVZYMPL-UHFFFAOYSA-N
MW421.22 g/mol
LogP3.56
Rot. Bonds6

About 4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide

4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56563614) has the molecular formula C15H16BrF3N4O2 and a molecular weight of 421.22 g/mol. Its IUPAC name is 4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID56563614
Molecular FormulaC15H16BrF3N4O2
Molecular Weight421.22 g/mol
Exact Mass420.04
IUPAC Name4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCc2cccnc2OCC(F)(F)F)c1Br
InChIInChI=1S/C15H16BrF3N4O2/c1-8(2)11-10(16)12(23-22-11)13(24)21-6-9-4-3-5-20-14(9)25-7-15(17,18)19/h3-5,8H,6-7H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyGFSKPFYIVZYMPL-UHFFFAOYSA-N
XLogP3.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.22
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide
CID 37298369
4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 56560135
(2R)-2-pyrazol-1-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 94022211
2-propan-2-ylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 55613755
4-bromo-N-[[2-(2-methylpropoxy)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566997
2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55613812
(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 142480215
2-(2-bromo-4,5-diethoxyphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 46447585
2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 37297652
methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate
CID 55778080
4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564949
2-(3-bromo-2-methylindol-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 52661759

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide (CID 56563614) is 4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NCc2cccnc2OCC(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is GFSKPFYIVZYMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF3N4O2/c1-8(2)11-10(16)12(23-22-11)13(24)21-6-9-4-3-5-20-14(9)25-7-15(17,18)19/h3-5,8H,6-7H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?
4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 421.22 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56563614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).