N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide

C17H18F2N4O2 — CID 75512322

IUPACN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide
SMILESCc1cc(N2CCCC(NC(=O)c3cc(F)cc(F)c3)C2=O)n(C)n1
InChIInChI=1S/C17H18F2N4O2/c1-10-6-15(22(2)21-10)23-5-3-4-14(17(23)25)20-16(24)11-7-12(18)9-13(19)8-11/h6-9,14H,3-5H2,1-2H3,(H,20,24)
InChIKeyBJVPMHBKZHPVCN-UHFFFAOYSA-N
MW348.35 g/mol
LogP1.93
Rot. Bonds3

About N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide

N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide (PubChem CID 75512322) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide
PubChem CID75512322
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide
SMILESCc1cc(N2CCCC(NC(=O)c3cc(F)cc(F)c3)C2=O)n(C)n1
InChIInChI=1S/C17H18F2N4O2/c1-10-6-15(22(2)21-10)23-5-3-4-14(17(23)25)20-16(24)11-7-12(18)9-13(19)8-11/h6-9,14H,3-5H2,1-2H3,(H,20,24)
InChIKeyBJVPMHBKZHPVCN-UHFFFAOYSA-N
XLogP1.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide?
The IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide (CID 75512322) is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide?
The canonical SMILES for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide is Cc1cc(N2CCCC(NC(=O)c3cc(F)cc(F)c3)C2=O)n(C)n1.
What is the InChIKey of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide?
The InChIKey is BJVPMHBKZHPVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-10-6-15(22(2)21-10)23-5-3-4-14(17(23)25)20-16(24)11-7-12(18)9-13(19)8-11/h6-9,14H,3-5H2,1-2H3,(H,20,24).
What are the key properties of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide?
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide has a molecular weight of 348.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide is sourced from PubChem (CID 75512322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).