2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide

C24H28N4O — CID 98134976

IUPAC2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCC2CCC(c3[nH]ncc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C24H28N4O/c1-17-2-4-18(5-3-17)14-23(29)26-15-19-6-8-21(9-7-19)24-22(16-27-28-24)20-10-12-25-13-11-20/h2-5,10-13,16,19,21H,6-9,14-15H2,1H3,(H,26,29)(H,27,28)
InChIKeyWHYGDJNWNLUUJO-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.41
Rot. Bonds6

About 2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide

2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide (PubChem CID 98134976) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide
PubChem CID98134976
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCC2CCC(c3[nH]ncc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C24H28N4O/c1-17-2-4-18(5-3-17)14-23(29)26-15-19-6-8-21(9-7-19)24-22(16-27-28-24)20-10-12-25-13-11-20/h2-5,10-13,16,19,21H,6-9,14-15H2,1H3,(H,26,29)(H,27,28)
InChIKeyWHYGDJNWNLUUJO-UHFFFAOYSA-N
XLogP4.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide (CID 98134976) is 2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide is Cc1ccc(CC(=O)NCC2CCC(c3[nH]ncc3-c3ccncc3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide?
The InChIKey is WHYGDJNWNLUUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-2-4-18(5-3-17)14-23(29)26-15-19-6-8-21(9-7-19)24-22(16-27-28-24)20-10-12-25-13-11-20/h2-5,10-13,16,19,21H,6-9,14-15H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide?
2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide has a molecular weight of 388.52 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98134976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).