4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide

C8H10F3N3O — CID 69093088

IUPAC4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide
SMILESCC(CC(N)=O)(c1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-7(4-6(12)15,8(9,10)11)5-2-3-13-14-5/h2-3H,4H2,1H3,(H2,12,15)(H,13,14)
InChIKeyMPOSXDZZRJYRLV-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.11
Rot. Bonds3

About 4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide

4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide (PubChem CID 69093088) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide
PubChem CID69093088
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide
SMILESCC(CC(N)=O)(c1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-7(4-6(12)15,8(9,10)11)5-2-3-13-14-5/h2-3H,4H2,1H3,(H2,12,15)(H,13,14)
InChIKeyMPOSXDZZRJYRLV-UHFFFAOYSA-N
XLogP1.11
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide (CID 69093088) is 4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide is CC(CC(N)=O)(c1ccn[nH]1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide?
The InChIKey is MPOSXDZZRJYRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-7(4-6(12)15,8(9,10)11)5-2-3-13-14-5/h2-3H,4H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide?
4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide has a molecular weight of 221.18 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-methyl-3-(1H-pyrazol-5-yl)butanamide is sourced from PubChem (CID 69093088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).