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

C22H22N4O2 — CID 1041177

IUPACN-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N4O2/c27-21(17-10-4-1-5-11-17)24-20-19(22(28)25-14-8-3-9-15-25)16-23-26(20)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,24,27)
InChIKeyYUXCKESVZUAENN-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.75
Rot. Bonds4

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

N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide (PubChem CID 1041177) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide
PubChem CID1041177
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N4O2/c27-21(17-10-4-1-5-11-17)24-20-19(22(28)25-14-8-3-9-15-25)16-23-26(20)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,24,27)
InChIKeyYUXCKESVZUAENN-UHFFFAOYSA-N
XLogP3.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.75
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
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
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
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
1-(4-fluorophenyl)-4-{[3-(4-methylpiperazin-1-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 11567867

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
The IUPAC name of N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide (CID 1041177) is N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide is O=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
The InChIKey is YUXCKESVZUAENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(17-10-4-1-5-11-17)24-20-19(22(28)25-14-8-3-9-15-25)16-23-26(20)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,24,27).
What are the key properties of N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 1041177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).