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

C14H15F3N4O — CID 119303302

IUPAC4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
SMILESNCCCC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)12-7-9-19-21(12)11-5-3-10(4-6-11)20-13(22)2-1-8-18/h3-7,9H,1-2,8,18H2,(H,20,22)
InChIKeyIBHXEMBGMIMKHA-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.57
Rot. Bonds5

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

4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide (PubChem CID 119303302) has the molecular formula C14H15F3N4O and a molecular weight of 312.29 g/mol. Its IUPAC name is 4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
PubChem CID119303302
Molecular FormulaC14H15F3N4O
Molecular Weight312.29 g/mol
Exact Mass312.12
IUPAC Name4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
SMILESNCCCC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)12-7-9-19-21(12)11-5-3-10(4-6-11)20-13(22)2-1-8-18/h3-7,9H,1-2,8,18H2,(H,20,22)
InChIKeyIBHXEMBGMIMKHA-UHFFFAOYSA-N
XLogP2.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
CID 119303298
2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
CID 119748787
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 60576094
2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride
CID 119748794
4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid
CID 122077598
4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
CID 60576123
7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide
CID 43704126
2-thiomorpholin-3-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide;hydrochloride
CID 119937742
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
(2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide
CID 119748779
4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119262786

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide?
The IUPAC name of 4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide (CID 119303302) is 4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide?
The canonical SMILES for 4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide is NCCCC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1.
What is the InChIKey of 4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide?
The InChIKey is IBHXEMBGMIMKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c15-14(16,17)12-7-9-19-21(12)11-5-3-10(4-6-11)20-13(22)2-1-8-18/h3-7,9H,1-2,8,18H2,(H,20,22).
What are the key properties of 4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide?
4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide has a molecular weight of 312.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide is sourced from PubChem (CID 119303302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).