4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide

C15H15BrF3N3O — CID 56583007

IUPAC4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NC(c2ccccc2)C(F)(F)F)c1Br
InChIInChI=1S/C15H15BrF3N3O/c1-8(2)11-10(16)12(22-21-11)14(23)20-13(15(17,18)19)9-6-4-3-5-7-9/h3-8,13H,1-2H3,(H,20,23)(H,21,22)
InChIKeyOWFNCLMXLQZBGT-UHFFFAOYSA-N
MW390.20 g/mol
LogP4.33
Rot. Bonds4

About 4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide

4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56583007) has the molecular formula C15H15BrF3N3O and a molecular weight of 390.20 g/mol. Its IUPAC name is 4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide
PubChem CID56583007
Molecular FormulaC15H15BrF3N3O
Molecular Weight390.20 g/mol
Exact Mass389.04
IUPAC Name4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NC(c2ccccc2)C(F)(F)F)c1Br
InChIInChI=1S/C15H15BrF3N3O/c1-8(2)11-10(16)12(22-21-11)14(23)20-13(15(17,18)19)9-6-4-3-5-7-9/h3-8,13H,1-2H3,(H,20,23)(H,21,22)
InChIKeyOWFNCLMXLQZBGT-UHFFFAOYSA-N
XLogP4.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.20
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide
CID 60589476
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CID 56560954
4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563120
N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 86971927
4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 56560135
4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56559943
N-(3-benzoylphenyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565943
4-bromo-N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563429
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide
CID 94196966
4-bromo-N-[2-(4-phenylpiperazin-1-yl)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564755
N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 119523751
4-bromo-N-[4-(N-methylanilino)butyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567094

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide (CID 56583007) is 4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NC(c2ccccc2)C(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is OWFNCLMXLQZBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF3N3O/c1-8(2)11-10(16)12(22-21-11)14(23)20-13(15(17,18)19)9-6-4-3-5-7-9/h3-8,13H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide?
4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 390.20 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56583007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).