4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide

C11H16F3N3O — CID 75374688

IUPAC4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide
SMILESCC(C)Cc1cc(NC(=O)CCC(F)(F)F)n[nH]1
InChIInChI=1S/C11H16F3N3O/c1-7(2)5-8-6-9(17-16-8)15-10(18)3-4-11(12,13)14/h6-7H,3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyIXZZIDBOZJEBFC-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.89
Rot. Bonds5

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

4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide (PubChem CID 75374688) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide
PubChem CID75374688
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide
SMILESCC(C)Cc1cc(NC(=O)CCC(F)(F)F)n[nH]1
InChIInChI=1S/C11H16F3N3O/c1-7(2)5-8-6-9(17-16-8)15-10(18)3-4-11(12,13)14/h6-7H,3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyIXZZIDBOZJEBFC-UHFFFAOYSA-N
XLogP2.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.89
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-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide (CID 75374688) is 4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide is CC(C)Cc1cc(NC(=O)CCC(F)(F)F)n[nH]1.
What is the InChIKey of 4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide?
The InChIKey is IXZZIDBOZJEBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7(2)5-8-6-9(17-16-8)15-10(18)3-4-11(12,13)14/h6-7H,3-5H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide?
4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide has a molecular weight of 263.26 g/mol, XLogP of 2.89, 5 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-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 75374688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).