N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide

C23H26N4O — CID 90555911

IUPACN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)c1
InChIInChI=1S/C23H26N4O/c1-17-7-6-8-18(13-17)14-23(28)25-16-19-15-22(21-11-4-5-12-24-21)27(26-19)20-9-2-3-10-20/h4-8,11-13,15,20H,2-3,9-10,14,16H2,1H3,(H,25,28)
InChIKeyIRQYPTLOANQYHG-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.23
Rot. Bonds6

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

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide (PubChem CID 90555911) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
PubChem CID90555911
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)c1
InChIInChI=1S/C23H26N4O/c1-17-7-6-8-18(13-17)14-23(28)25-16-19-15-22(21-11-4-5-12-24-21)27(26-19)20-9-2-3-10-20/h4-8,11-13,15,20H,2-3,9-10,14,16H2,1H3,(H,25,28)
InChIKeyIRQYPTLOANQYHG-UHFFFAOYSA-N
XLogP4.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide (CID 90555911) is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)c1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is IRQYPTLOANQYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-7-6-8-18(13-17)14-23(28)25-16-19-15-22(21-11-4-5-12-24-21)27(26-19)20-9-2-3-10-20/h4-8,11-13,15,20H,2-3,9-10,14,16H2,1H3,(H,25,28).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide?
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 90555911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).