N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide

C18H23FN4O — CID 24820103

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccnn1C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H23FN4O/c1-21(18(24)17-9-10-20-22(17)2)15-7-5-11-23(13-15)12-14-6-3-4-8-16(14)19/h3-4,6,8-10,15H,5,7,11-13H2,1-2H3
InChIKeyQEPRILODALXPJC-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.30
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 24820103) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID24820103
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccnn1C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H23FN4O/c1-21(18(24)17-9-10-20-22(17)2)15-7-5-11-23(13-15)12-14-6-3-4-8-16(14)19/h3-4,6,8-10,15H,5,7,11-13H2,1-2H3
InChIKeyQEPRILODALXPJC-UHFFFAOYSA-N
XLogP2.30
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-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-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide (CID 24820103) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide is CN(C(=O)c1ccnn1C)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is QEPRILODALXPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-21(18(24)17-9-10-20-22(17)2)15-7-5-11-23(13-15)12-14-6-3-4-8-16(14)19/h3-4,6,8-10,15H,5,7,11-13H2,1-2H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 24820103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).