(2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone

C17H21FN4O — CID 24790221

IUPAC(2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)n(C)n1
InChIInChI=1S/C17H21FN4O/c1-12-10-16(21(2)20-12)17(23)22-9-3-4-15(11-22)19-14-7-5-13(18)6-8-14/h5-8,10,15,19H,3-4,9,11H2,1-2H3
InChIKeyJZKHEQNVPMKGTA-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.58
Rot. Bonds3

About (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone (PubChem CID 24790221) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone
PubChem CID24790221
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)n(C)n1
InChIInChI=1S/C17H21FN4O/c1-12-10-16(21(2)20-12)17(23)22-9-3-4-15(11-22)19-14-7-5-13(18)6-8-14/h5-8,10,15,19H,3-4,9,11H2,1-2H3
InChIKeyJZKHEQNVPMKGTA-UHFFFAOYSA-N
XLogP2.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone (CID 24790221) is (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The InChIKey is JZKHEQNVPMKGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12-10-16(21(2)20-12)17(23)22-9-3-4-15(11-22)19-14-7-5-13(18)6-8-14/h5-8,10,15,19H,3-4,9,11H2,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24790221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).