N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide

C22H21F3N4O2 — CID 10387972

IUPACN-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide
SMILESCCC(NC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C22H21F3N4O2/c1-2-17(26-20(30)12-14-7-6-10-16(11-14)22(23,24)25)21(31)27-19-13-18(28-29-19)15-8-4-3-5-9-15/h3-11,13,17H,2,12H2,1H3,(H,26,30)(H2,27,28,29,31)
InChIKeyZNLZQXRGYQHQMR-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.17
Rot. Bonds7

About N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide

N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide (PubChem CID 10387972) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide
PubChem CID10387972
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC NameN-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide
SMILESCCC(NC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C22H21F3N4O2/c1-2-17(26-20(30)12-14-7-6-10-16(11-14)22(23,24)25)21(31)27-19-13-18(28-29-19)15-8-4-3-5-9-15/h3-11,13,17H,2,12H2,1H3,(H,26,30)(H2,27,28,29,31)
InChIKeyZNLZQXRGYQHQMR-UHFFFAOYSA-N
XLogP4.17
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide?
The IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide (CID 10387972) is N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide.
What is the SMILES notation for N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide?
The canonical SMILES for N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide is CCC(NC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide?
The InChIKey is ZNLZQXRGYQHQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-2-17(26-20(30)12-14-7-6-10-16(11-14)22(23,24)25)21(31)27-19-13-18(28-29-19)15-8-4-3-5-9-15/h3-11,13,17H,2,12H2,1H3,(H,26,30)(H2,27,28,29,31).
What are the key properties of N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide?
N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide has a molecular weight of 430.43 g/mol, XLogP of 4.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide is sourced from PubChem (CID 10387972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).