4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide

C17H19N7OS — CID 122346068

IUPAC4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESCc1ccn(-c2ccc(N3CCN(C(=O)Nc4cccs4)CC3)nn2)n1
InChIInChI=1S/C17H19N7OS/c1-13-6-7-24(21-13)15-5-4-14(19-20-15)22-8-10-23(11-9-22)17(25)18-16-3-2-12-26-16/h2-7,12H,8-11H2,1H3,(H,18,25)
InChIKeyDDFBJWMFIVYRIB-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.39
Rot. Bonds3

About 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide

4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 122346068) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID122346068
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESCc1ccn(-c2ccc(N3CCN(C(=O)Nc4cccs4)CC3)nn2)n1
InChIInChI=1S/C17H19N7OS/c1-13-6-7-24(21-13)15-5-4-14(19-20-15)22-8-10-23(11-9-22)17(25)18-16-3-2-12-26-16/h2-7,12H,8-11H2,1H3,(H,18,25)
InChIKeyDDFBJWMFIVYRIB-UHFFFAOYSA-N
XLogP2.39
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-fluorophenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56920257
4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122160627
N-(2,4-dimethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56921024
N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56921616
4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 122345827
4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122335991
N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 133291071
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122338681
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 70703419
2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 133290882
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 56922896
4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122343979

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide (CID 122346068) is 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide is Cc1ccn(-c2ccc(N3CCN(C(=O)Nc4cccs4)CC3)nn2)n1.
What is the InChIKey of 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is DDFBJWMFIVYRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-13-6-7-24(21-13)15-5-4-14(19-20-15)22-8-10-23(11-9-22)17(25)18-16-3-2-12-26-16/h2-7,12H,8-11H2,1H3,(H,18,25).
What are the key properties of 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide?
4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 122346068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).