N-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide

C17H22FN3O — CID 169169627

IUPACN-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1c(-c2ccccc2)cnn1CCF
InChIInChI=1S/C17H22FN3O/c1-17(2,3)11-15(22)20-16-14(12-19-21(16)10-9-18)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,20,22)
InChIKeyHLWHIAYSDOBLIY-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.89
Rot. Bonds5

About N-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide

N-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide (PubChem CID 169169627) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide
PubChem CID169169627
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC NameN-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1c(-c2ccccc2)cnn1CCF
InChIInChI=1S/C17H22FN3O/c1-17(2,3)11-15(22)20-16-14(12-19-21(16)10-9-18)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,20,22)
InChIKeyHLWHIAYSDOBLIY-UHFFFAOYSA-N
XLogP3.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide (CID 169169627) is N-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1c(-c2ccccc2)cnn1CCF.
What is the InChIKey of N-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide?
The InChIKey is HLWHIAYSDOBLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-17(2,3)11-15(22)20-16-14(12-19-21(16)10-9-18)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide?
N-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide has a molecular weight of 303.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 169169627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).