3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide

C17H19FN4O2 — CID 19337047

IUPAC3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
SMILESCn1ncc(NC(=O)c2cccc(F)c2)c1C(=O)N1CCCCC1
InChIInChI=1S/C17H19FN4O2/c1-21-15(17(24)22-8-3-2-4-9-22)14(11-19-21)20-16(23)12-6-5-7-13(18)10-12/h5-7,10-11H,2-4,8-9H2,1H3,(H,20,23)
InChIKeyJFANDRPUHLTTKG-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.44
Rot. Bonds3

About 3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide

3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide (PubChem CID 19337047) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
PubChem CID19337047
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
SMILESCn1ncc(NC(=O)c2cccc(F)c2)c1C(=O)N1CCCCC1
InChIInChI=1S/C17H19FN4O2/c1-21-15(17(24)22-8-3-2-4-9-22)14(11-19-21)20-16(23)12-6-5-7-13(18)10-12/h5-7,10-11H,2-4,8-9H2,1H3,(H,20,23)
InChIKeyJFANDRPUHLTTKG-UHFFFAOYSA-N
XLogP2.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19336985
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
3-methoxy-2-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19338744
1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea
CID 19449713
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110483243
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051768
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 19411137
3-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 727290
3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19338768
3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055003

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide (CID 19337047) is 3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide is Cn1ncc(NC(=O)c2cccc(F)c2)c1C(=O)N1CCCCC1.
What is the InChIKey of 3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide?
The InChIKey is JFANDRPUHLTTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-21-15(17(24)22-8-3-2-4-9-22)14(11-19-21)20-16(23)12-6-5-7-13(18)10-12/h5-7,10-11H,2-4,8-9H2,1H3,(H,20,23).
What are the key properties of 3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide?
3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide has a molecular weight of 330.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 19337047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).