3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide

C19H23FN4O2 — CID 128989170

IUPAC3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
SMILESCC(C)(F)C(=O)N1CCCC(c2nn(-c3ccccc3)cc2C(N)=O)C1
InChIInChI=1S/C19H23FN4O2/c1-19(2,20)18(26)23-10-6-7-13(11-23)16-15(17(21)25)12-24(22-16)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H2,21,25)
InChIKeyHZNAFANSPDBKAB-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.43
Rot. Bonds4

About 3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide

3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 128989170) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID128989170
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
SMILESCC(C)(F)C(=O)N1CCCC(c2nn(-c3ccccc3)cc2C(N)=O)C1
InChIInChI=1S/C19H23FN4O2/c1-19(2,20)18(26)23-10-6-7-13(11-23)16-15(17(21)25)12-24(22-16)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H2,21,25)
InChIKeyHZNAFANSPDBKAB-UHFFFAOYSA-N
XLogP2.43
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide (CID 128989170) is 3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide is CC(C)(F)C(=O)N1CCCC(c2nn(-c3ccccc3)cc2C(N)=O)C1.
What is the InChIKey of 3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is HZNAFANSPDBKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-19(2,20)18(26)23-10-6-7-13(11-23)16-15(17(21)25)12-24(22-16)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H2,21,25).
What are the key properties of 3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 128989170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).