5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

C17H17N9 — CID 155942753

IUPAC5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESc1cnn(-c2ccc(N3CCN(c4ccn5nccc5n4)CC3)nn2)c1
InChIInChI=1S/C17H17N9/c1-6-18-25(8-1)17-3-2-16(21-22-17)24-12-10-23(11-13-24)14-5-9-26-15(20-14)4-7-19-26/h1-9H,10-13H2
InChIKeyXCOAASXYBXFXBE-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.03
Rot. Bonds3

About 5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 155942753) has the molecular formula C17H17N9 and a molecular weight of 347.39 g/mol. Its IUPAC name is 5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID155942753
Molecular FormulaC17H17N9
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESc1cnn(-c2ccc(N3CCN(c4ccn5nccc5n4)CC3)nn2)c1
InChIInChI=1S/C17H17N9/c1-6-18-25(8-1)17-3-2-16(21-22-17)24-12-10-23(11-13-24)14-5-9-26-15(20-14)4-7-19-26/h1-9H,10-13H2
InChIKeyXCOAASXYBXFXBE-UHFFFAOYSA-N
XLogP1.03
TPSA80.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942755
5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 151310719
5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 115372799
1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one
CID 115372220
1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone
CID 163343809
5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
CID 115371975
2-methyl-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)propan-1-amine
CID 115372179
5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942593
5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 171700855
2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)butan-1-amine
CID 115372177
N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 115373022
3-pyrazol-1-yl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339169

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 155942753) is 5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is c1cnn(-c2ccc(N3CCN(c4ccn5nccc5n4)CC3)nn2)c1.
What is the InChIKey of 5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is XCOAASXYBXFXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N9/c1-6-18-25(8-1)17-3-2-16(21-22-17)24-12-10-23(11-13-24)14-5-9-26-15(20-14)4-7-19-26/h1-9H,10-13H2.
What are the key properties of 5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 347.39 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155942753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).