2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide

C25H24F6N4O2 — CID 87753369

IUPAC2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide
SMILESCC(NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cc(CC(C)c2ccccc2)[nH]n1
InChIInChI=1S/C25H24F6N4O2/c1-14(17-6-4-3-5-7-17)8-20-13-21(35-34-20)33-23(37)15(2)32-22(36)11-16-9-18(24(26,27)28)12-19(10-16)25(29,30)31/h3-7,9-10,12-15H,8,11H2,1-2H3,(H,32,36)(H2,33,34,35,37)
InChIKeyCAZFGBLTRWDNCE-UHFFFAOYSA-N
MW526.48 g/mol
LogP5.48
Rot. Bonds8

About 2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide

2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide (PubChem CID 87753369) has the molecular formula C25H24F6N4O2 and a molecular weight of 526.48 g/mol. Its IUPAC name is 2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide
PubChem CID87753369
Molecular FormulaC25H24F6N4O2
Molecular Weight526.48 g/mol
Exact Mass526.18
IUPAC Name2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide
SMILESCC(NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cc(CC(C)c2ccccc2)[nH]n1
InChIInChI=1S/C25H24F6N4O2/c1-14(17-6-4-3-5-7-17)8-20-13-21(35-34-20)33-23(37)15(2)32-22(36)11-16-9-18(24(26,27)28)12-19(10-16)25(29,30)31/h3-7,9-10,12-15H,8,11H2,1-2H3,(H,32,36)(H2,33,34,35,37)
InChIKeyCAZFGBLTRWDNCE-UHFFFAOYSA-N
XLogP5.48
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.48
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide?
The IUPAC name of 2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide (CID 87753369) is 2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for 2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide is CC(NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cc(CC(C)c2ccccc2)[nH]n1.
What is the InChIKey of 2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide?
The InChIKey is CAZFGBLTRWDNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F6N4O2/c1-14(17-6-4-3-5-7-17)8-20-13-21(35-34-20)33-23(37)15(2)32-22(36)11-16-9-18(24(26,27)28)12-19(10-16)25(29,30)31/h3-7,9-10,12-15H,8,11H2,1-2H3,(H,32,36)(H2,33,34,35,37).
What are the key properties of 2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide?
2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide has a molecular weight of 526.48 g/mol, XLogP of 5.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[5-(2-phenylpropyl)-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 87753369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).