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

C22H21FN4O2 — CID 5349814

IUPAC3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C22H21FN4O2/c23-17-9-7-8-16(14-17)21(28)25-20-19(22(29)26-12-5-2-6-13-26)15-24-27(20)18-10-3-1-4-11-18/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,25,28)
InChIKeyAHQAGUUQAJANQQ-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.89
Rot. Bonds4

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

3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide (PubChem CID 5349814) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide
PubChem CID5349814
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C22H21FN4O2/c23-17-9-7-8-16(14-17)21(28)25-20-19(22(29)26-12-5-2-6-13-26)15-24-27(20)18-10-3-1-4-11-18/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,25,28)
InChIKeyAHQAGUUQAJANQQ-UHFFFAOYSA-N
XLogP3.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-((1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo(3,4-b)pyridin-4-yl)amino)-4-methylbenzamide
CID 42647297
N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
CID 25118220
1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-4-(trifluoromethyl)benzamide
CID 135869418
3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 135869421
4-fluoro-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869427
1-(2,4-difluorophenyl)-4-{[3-(pyridin-4-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 9864447
5-Amino-1-(4-fluorophenyl)-4-[3-(pyridin-3-yl)benzoyl]pyrazole
CID 9950664
5-Amino-1-(4-fluorophenyl)-4-[3-(3-morpholin-4-ylprop-1-ynyl)benzoyl]pyrazole
CID 9953051
1-(4-fluorophenyl)-4-({3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}carbonyl)-1H-pyrazol-5-amine
CID 11531595
(5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl)(phenyl)methanone
CID 11565393
5-Amino-4-[3-(2-aminoethyl)benzoyl]-1-(4-fluorophenyl)pyrazole
CID 11566683

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide (CID 5349814) is 3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide is O=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
The InChIKey is AHQAGUUQAJANQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-17-9-7-8-16(14-17)21(28)25-20-19(22(29)26-12-5-2-6-13-26)15-24-27(20)18-10-3-1-4-11-18/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,25,28).
What are the key properties of 3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide has a molecular weight of 392.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 5349814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).