N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide

C19H23FN4O2 — CID 46992443

IUPACN-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCc1cnn(Cc2cccc(F)c2)c1NC(=O)C(=O)N1CCCCC1C
InChIInChI=1S/C19H23FN4O2/c1-13-11-21-24(12-15-7-5-8-16(20)10-15)17(13)22-18(25)19(26)23-9-4-3-6-14(23)2/h5,7-8,10-11,14H,3-4,6,9,12H2,1-2H3,(H,22,25)
InChIKeyOTSFMOKXGSGDLB-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.72
Rot. Bonds3

About N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide

N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 46992443) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID46992443
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCc1cnn(Cc2cccc(F)c2)c1NC(=O)C(=O)N1CCCCC1C
InChIInChI=1S/C19H23FN4O2/c1-13-11-21-24(12-15-7-5-8-16(20)10-15)17(13)22-18(25)19(26)23-9-4-3-6-14(23)2/h5,7-8,10-11,14H,3-4,6,9,12H2,1-2H3,(H,22,25)
InChIKeyOTSFMOKXGSGDLB-UHFFFAOYSA-N
XLogP2.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (CID 46992443) is N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is Cc1cnn(Cc2cccc(F)c2)c1NC(=O)C(=O)N1CCCCC1C.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is OTSFMOKXGSGDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-13-11-21-24(12-15-7-5-8-16(20)10-15)17(13)22-18(25)19(26)23-9-4-3-6-14(23)2/h5,7-8,10-11,14H,3-4,6,9,12H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 358.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 46992443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).