N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide

C18H23FN4O2 — CID 51097834

IUPACN-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCOC1CCN(c2ccc(F)cc2CN(C)C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C18H23FN4O2/c1-22(18(24)16-5-8-20-21-16)12-13-11-14(19)3-4-17(13)23-9-6-15(25-2)7-10-23/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,20,21)
InChIKeyXARDFCVVVMBVJY-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.44
Rot. Bonds5

About N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide

N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 51097834) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID51097834
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCOC1CCN(c2ccc(F)cc2CN(C)C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C18H23FN4O2/c1-22(18(24)16-5-8-20-21-16)12-13-11-14(19)3-4-17(13)23-9-6-15(25-2)7-10-23/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,20,21)
InChIKeyXARDFCVVVMBVJY-UHFFFAOYSA-N
XLogP2.44
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 51097834) is N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide is COC1CCN(c2ccc(F)cc2CN(C)C(=O)c2ccn[nH]2)CC1.
What is the InChIKey of N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is XARDFCVVVMBVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-22(18(24)16-5-8-20-21-16)12-13-11-14(19)3-4-17(13)23-9-6-15(25-2)7-10-23/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51097834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).