N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide

C20H18N6O — CID 141484723

IUPACN-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc(-c2ccccn2)n1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H18N6O/c27-20(15-25-11-9-19(24-25)18-8-4-5-10-21-18)23-17-12-22-26(14-17)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,23,27)
InChIKeyXHCORNJOVDCITQ-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.83
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide

N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide (PubChem CID 141484723) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
PubChem CID141484723
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc(-c2ccccn2)n1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H18N6O/c27-20(15-25-11-9-19(24-25)18-8-4-5-10-21-18)23-17-12-22-26(14-17)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,23,27)
InChIKeyXHCORNJOVDCITQ-UHFFFAOYSA-N
XLogP2.83
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide (CID 141484723) is N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide is O=C(Cn1ccc(-c2ccccn2)n1)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide?
The InChIKey is XHCORNJOVDCITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c27-20(15-25-11-9-19(24-25)18-8-4-5-10-21-18)23-17-12-22-26(14-17)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,23,27).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide?
N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide has a molecular weight of 358.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 141484723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).