2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide

C16H15N5O — CID 166005870

IUPAC2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide
SMILESCn1cc(-c2ccc(C(C(N)=O)c3ccccc3)nn2)cn1
InChIInChI=1S/C16H15N5O/c1-21-10-12(9-18-21)13-7-8-14(20-19-13)15(16(17)22)11-5-3-2-4-6-11/h2-10,15H,1H3,(H2,17,22)
InChIKeyLOPZUBIVUIFLTF-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.49
Rot. Bonds4

About 2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide

2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide (PubChem CID 166005870) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide
PubChem CID166005870
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide
SMILESCn1cc(-c2ccc(C(C(N)=O)c3ccccc3)nn2)cn1
InChIInChI=1S/C16H15N5O/c1-21-10-12(9-18-21)13-7-8-14(20-19-13)15(16(17)22)11-5-3-2-4-6-11/h2-10,15H,1H3,(H2,17,22)
InChIKeyLOPZUBIVUIFLTF-UHFFFAOYSA-N
XLogP1.49
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 166005884
2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone
CID 116551131
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
(2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide
CID 125139517
2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 139416919
(2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride
CID 67515255
2-[2-(4-cyanophenyl)ethylamino]-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide
CID 139426182
(R)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832490
[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 55201232
(S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832487
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea
CID 122245913
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide?
The IUPAC name of 2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide (CID 166005870) is 2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide.
What is the SMILES notation for 2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide?
The canonical SMILES for 2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide is Cn1cc(-c2ccc(C(C(N)=O)c3ccccc3)nn2)cn1.
What is the InChIKey of 2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide?
The InChIKey is LOPZUBIVUIFLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21-10-12(9-18-21)13-7-8-14(20-19-13)15(16(17)22)11-5-3-2-4-6-11/h2-10,15H,1H3,(H2,17,22).
What are the key properties of 2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide?
2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide has a molecular weight of 293.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 166005870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).