N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide

C20H19N7O2 — CID 46995316

IUPACN-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(-c2cnn(CC(=O)Nc3ccn(Cc4ccccc4)n3)c2)nn1
InChIInChI=1S/C20H19N7O2/c1-29-20-8-7-17(23-24-20)16-11-21-27(13-16)14-19(28)22-18-9-10-26(25-18)12-15-5-3-2-4-6-15/h2-11,13H,12,14H2,1H3,(H,22,25,28)
InChIKeyXKSCIJLSGVTCSF-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.23
Rot. Bonds7

About N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide

N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide (PubChem CID 46995316) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide
PubChem CID46995316
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC NameN-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(-c2cnn(CC(=O)Nc3ccn(Cc4ccccc4)n3)c2)nn1
InChIInChI=1S/C20H19N7O2/c1-29-20-8-7-17(23-24-20)16-11-21-27(13-16)14-19(28)22-18-9-10-26(25-18)12-15-5-3-2-4-6-15/h2-11,13H,12,14H2,1H3,(H,22,25,28)
InChIKeyXKSCIJLSGVTCSF-UHFFFAOYSA-N
XLogP2.23
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 47048680
N,N'-bis(1-benzylpyrazol-3-yl)-3-methylhexanediamide
CID 112837683
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide (CID 46995316) is N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide is COc1ccc(-c2cnn(CC(=O)Nc3ccn(Cc4ccccc4)n3)c2)nn1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide?
The InChIKey is XKSCIJLSGVTCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-29-20-8-7-17(23-24-20)16-11-21-27(13-16)14-19(28)22-18-9-10-26(25-18)12-15-5-3-2-4-6-15/h2-11,13H,12,14H2,1H3,(H,22,25,28).
What are the key properties of N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide?
N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide has a molecular weight of 389.42 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 46995316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).