4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide

C10H14F3N3O — CID 113245549

IUPAC4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
SMILESCC(C)c1cc(NC(=O)CCC(F)(F)F)n[nH]1
InChIInChI=1S/C10H14F3N3O/c1-6(2)7-5-8(16-15-7)14-9(17)3-4-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyFBSYFSDWNNMPHP-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.81
Rot. Bonds4

About 4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide

4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide (PubChem CID 113245549) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
PubChem CID113245549
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
SMILESCC(C)c1cc(NC(=O)CCC(F)(F)F)n[nH]1
InChIInChI=1S/C10H14F3N3O/c1-6(2)7-5-8(16-15-7)14-9(17)3-4-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyFBSYFSDWNNMPHP-UHFFFAOYSA-N
XLogP2.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618390
5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104617733
6-oxo-6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]hexanoic acid
CID 104617331
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618436
3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide
CID 112686564
2-cyclobutyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 103710671
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618403
3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115776624
3-(4-methylphenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 104619798
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115976344
2-(4-fluorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 47405014
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 115976338

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide (CID 113245549) is 4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide is CC(C)c1cc(NC(=O)CCC(F)(F)F)n[nH]1.
What is the InChIKey of 4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
The InChIKey is FBSYFSDWNNMPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6(2)7-5-8(16-15-7)14-9(17)3-4-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide has a molecular weight of 249.24 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 113245549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).