3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride

C16H20ClFN4O — CID 119441233

IUPAC3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCN(C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CCNCC1.Cl
InChIInChI=1S/C16H19FN4O.ClH/c1-21(13-6-8-18-9-7-13)16(22)15-10-14(19-20-15)11-2-4-12(17)5-3-11;/h2-5,10,13,18H,6-9H2,1H3,(H,19,20);1H
InChIKeyJSFOXFGOSXZBIX-UHFFFAOYSA-N
MW338.81 g/mol
LogP2.46
Rot. Bonds3

About 3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride

3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 119441233) has the molecular formula C16H20ClFN4O and a molecular weight of 338.81 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID119441233
Molecular FormulaC16H20ClFN4O
Molecular Weight338.81 g/mol
Exact Mass338.13
IUPAC Name3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCN(C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CCNCC1.Cl
InChIInChI=1S/C16H19FN4O.ClH/c1-21(13-6-8-18-9-7-13)16(22)15-10-14(19-20-15)11-2-4-12(17)5-3-11;/h2-5,10,13,18H,6-9H2,1H3,(H,19,20);1H
InChIKeyJSFOXFGOSXZBIX-UHFFFAOYSA-N
XLogP2.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119442075
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450
4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119444644
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616
2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 65100676
5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443365
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87045985
3-(4-fluorophenyl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 110165005
N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119581386
5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
CID 119554451
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride (CID 119441233) is 3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride is CN(C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CCNCC1.Cl.
What is the InChIKey of 3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is JSFOXFGOSXZBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O.ClH/c1-21(13-6-8-18-9-7-13)16(22)15-10-14(19-20-15)11-2-4-12(17)5-3-11;/h2-5,10,13,18H,6-9H2,1H3,(H,19,20);1H.
What are the key properties of 3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride?
3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 338.81 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119441233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).