4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile

C23H22N4O — CID 90066665

IUPAC4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1ccn[nH]1
InChIInChI=1S/C23H22N4O/c1-16-2-5-20(14-21(16)22-8-11-25-26-22)23(28)27-12-9-19(10-13-27)18-6-3-17(15-24)4-7-18/h2-8,11,14,19H,9-10,12-13H2,1H3,(H,25,26)
InChIKeyXPRYXOUAFHGRNN-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.28
Rot. Bonds3

About 4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile

4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile (PubChem CID 90066665) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile
PubChem CID90066665
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1ccn[nH]1
InChIInChI=1S/C23H22N4O/c1-16-2-5-20(14-21(16)22-8-11-25-26-22)23(28)27-12-9-19(10-13-27)18-6-3-17(15-24)4-7-18/h2-8,11,14,19H,9-10,12-13H2,1H3,(H,25,26)
InChIKeyXPRYXOUAFHGRNN-UHFFFAOYSA-N
XLogP4.28
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-aminoethyl)-9-(1H-pyrazol-5-yl)benzo[h]isoquinolin-1(2H)-one
CID 15982356
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione
CID 24994152
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-fluoro-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995073
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[3-methyl-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995074
6-(3-aminopropyl)-9-(1H-pyrazol-5-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443521
(R)-N-(1-cyanoethyl)-3-(5-(4-((isopropylamino)methyl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 51346849
3-[5-(4-cyclopropylaminomethylphenyl)-1H-pyrazol-3-yl]-N-isopropylbenzamide
CID 53324184
N-(cyanomethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53324194
N-(2-cyanoethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53326662
4-(1-(5-(3,4-dimethyl-1H-pyrazol-5-yl)-2,4-dimethylbenzoyl)azetidin-3-yl)benzonitrile
CID 72947731
(3S,4S)-N-(3-cyano-4-fluorophenyl)-2-(2-methylpropyl)-1-oxo-3-(1H-pyrazol-4-yl)-3,4-dihydroisoquinoline-4-carboxamide
CID 122488859
2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide
CID 129052051

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile?
The IUPAC name of 4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile (CID 90066665) is 4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile?
The canonical SMILES for 4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1ccn[nH]1.
What is the InChIKey of 4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile?
The InChIKey is XPRYXOUAFHGRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-2-5-20(14-21(16)22-8-11-25-26-22)23(28)27-12-9-19(10-13-27)18-6-3-17(15-24)4-7-18/h2-8,11,14,19H,9-10,12-13H2,1H3,(H,25,26).
What are the key properties of 4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile?
4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile has a molecular weight of 370.46 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-methyl-3-(1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile is sourced from PubChem (CID 90066665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).