4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

C15H15BrF3N3O — CID 56560135

IUPAC4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1Br
InChIInChI=1S/C15H15BrF3N3O/c1-8(2)12-11(16)13(22-21-12)14(23)20-7-9-3-5-10(6-4-9)15(17,18)19/h3-6,8H,7H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYSLDLLWOFRTHMN-UHFFFAOYSA-N
MW390.20 g/mol
LogP4.24
Rot. Bonds4

About 4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56560135) 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-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID56560135
Molecular FormulaC15H15BrF3N3O
Molecular Weight390.20 g/mol
Exact Mass389.04
IUPAC Name4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1Br
InChIInChI=1S/C15H15BrF3N3O/c1-8(2)12-11(16)13(22-21-12)14(23)20-7-9-3-5-10(6-4-9)15(17,18)19/h3-6,8H,7H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYSLDLLWOFRTHMN-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560231
4-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567227
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567426
4-bromo-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564776
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 86897012
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562693
3-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62881492
4-bromo-5-propan-2-yl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 56582193
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-[[4-(trifluoromethyl)phenyl]methyl]cyclohepta[c]pyrazole-3-carboxamide
CID 68959282
4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide
CID 56583007

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide (CID 56560135) is 4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1Br.
What is the InChIKey of 4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is YSLDLLWOFRTHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF3N3O/c1-8(2)12-11(16)13(22-21-12)14(23)20-7-9-3-5-10(6-4-9)15(17,18)19/h3-6,8H,7H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 390.20 g/mol, XLogP of 4.24, 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-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56560135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).