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

C24H24N4O — CID 90030323

IUPAC4-[1-[4-methyl-3-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1cn[nH]c1C
InChIInChI=1S/C24H24N4O/c1-16-3-6-21(13-22(16)23-15-26-27-17(23)2)24(29)28-11-9-20(10-12-28)19-7-4-18(14-25)5-8-19/h3-8,13,15,20H,9-12H2,1-2H3,(H,26,27)
InChIKeyAEDPQSPNSNOFKV-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.59
Rot. Bonds3

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

4-[1-[4-methyl-3-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile (PubChem CID 90030323) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[1-[4-methyl-3-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-[4-methyl-3-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile
PubChem CID90030323
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-[1-[4-methyl-3-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1cn[nH]c1C
InChIInChI=1S/C24H24N4O/c1-16-3-6-21(13-22(16)23-15-26-27-17(23)2)24(29)28-11-9-20(10-12-28)19-7-4-18(14-25)5-8-19/h3-8,13,15,20H,9-12H2,1-2H3,(H,26,27)
InChIKeyAEDPQSPNSNOFKV-UHFFFAOYSA-N
XLogP4.59
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-methyl-3-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile?
The IUPAC name of 4-[1-[4-methyl-3-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile (CID 90030323) is 4-[1-[4-methyl-3-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[1-[4-methyl-3-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile?
The canonical SMILES for 4-[1-[4-methyl-3-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1cn[nH]c1C.
What is the InChIKey of 4-[1-[4-methyl-3-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile?
The InChIKey is AEDPQSPNSNOFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-3-6-21(13-22(16)23-15-26-27-17(23)2)24(29)28-11-9-20(10-12-28)19-7-4-18(14-25)5-8-19/h3-8,13,15,20H,9-12H2,1-2H3,(H,26,27).
What are the key properties of 4-[1-[4-methyl-3-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile?
4-[1-[4-methyl-3-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile has a molecular weight of 384.48 g/mol, XLogP of 4.59, 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-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile is sourced from PubChem (CID 90030323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).