N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide

C24H22N4O — CID 90555066

IUPACN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide
SMILESCn1nc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1-c1ccncc1
InChIInChI=1S/C24H22N4O/c1-28-23(21-11-13-25-14-12-21)16-22(27-28)17-26-24(29)15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-14,16H,15,17H2,1H3,(H,26,29)
InChIKeyFGUQTNSAATZKHJ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.01
Rot. Bonds6

About N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide

N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide (PubChem CID 90555066) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide
PubChem CID90555066
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide
SMILESCn1nc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1-c1ccncc1
InChIInChI=1S/C24H22N4O/c1-28-23(21-11-13-25-14-12-21)16-22(27-28)17-26-24(29)15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-14,16H,15,17H2,1H3,(H,26,29)
InChIKeyFGUQTNSAATZKHJ-UHFFFAOYSA-N
XLogP4.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide (CID 90555066) is N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide is Cn1nc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1-c1ccncc1.
What is the InChIKey of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is FGUQTNSAATZKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-28-23(21-11-13-25-14-12-21)16-22(27-28)17-26-24(29)15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-14,16H,15,17H2,1H3,(H,26,29).
What are the key properties of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide?
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 382.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 90555066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).