N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide

C14H14F3N3O — CID 84565030

IUPACN-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C14H14F3N3O/c1-2-6-10(21)18-13-11(9-7-4-3-5-8-9)12(19-20-13)14(15,16)17/h3-5,7-8H,2,6H2,1H3,(H2,18,19,20,21)
InChIKeyKOIPTKMFFLVINX-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.83
Rot. Bonds4

About N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide

N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide (PubChem CID 84565030) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
PubChem CID84565030
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C14H14F3N3O/c1-2-6-10(21)18-13-11(9-7-4-3-5-8-9)12(19-20-13)14(15,16)17/h3-5,7-8H,2,6H2,1H3,(H2,18,19,20,21)
InChIKeyKOIPTKMFFLVINX-UHFFFAOYSA-N
XLogP3.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565036
2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565043
3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565038
3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565044
1-(3-chlorophenyl)-3-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]urea
CID 84565072
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
(E)-3-(3,4-dimethoxyphenyl)-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]prop-2-enamide
CID 84565685
4-phenyl-3,5-bis(trifluoromethyl)-1H-pyrazole
CID 15075858
N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 53197929
N-(5-phenyl-2H-triazol-4-yl)heptanamide
CID 101432719
N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide
CID 53197925
N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide
CID 91566121

Frequently Asked Questions

What is the IUPAC name of N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide?
The IUPAC name of N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide (CID 84565030) is N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide?
The InChIKey is KOIPTKMFFLVINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-6-10(21)18-13-11(9-7-4-3-5-8-9)12(19-20-13)14(15,16)17/h3-5,7-8H,2,6H2,1H3,(H2,18,19,20,21).
What are the key properties of N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide?
N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide has a molecular weight of 297.28 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 84565030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).