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

C18H19N9 — CID 155942755

IUPAC5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1ccn(-c2ccc(N3CCN(c4ccn5nccc5n4)CC3)nn2)n1
InChIInChI=1S/C18H19N9/c1-14-5-8-27(23-14)18-3-2-17(21-22-18)25-12-10-24(11-13-25)15-6-9-26-16(20-15)4-7-19-26/h2-9H,10-13H2,1H3
InChIKeyNEWCLAMPLIPJMK-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.34
Rot. Bonds3

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

5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 155942755) has the molecular formula C18H19N9 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID155942755
Molecular FormulaC18H19N9
Molecular Weight361.41 g/mol
Exact Mass361.18
IUPAC Name5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1ccn(-c2ccc(N3CCN(c4ccn5nccc5n4)CC3)nn2)n1
InChIInChI=1S/C18H19N9/c1-14-5-8-27(23-14)18-3-2-17(21-22-18)25-12-10-24(11-13-25)15-6-9-26-16(20-15)4-7-19-26/h2-9H,10-13H2,1H3
InChIKeyNEWCLAMPLIPJMK-UHFFFAOYSA-N
XLogP1.34
TPSA80.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942753
5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 151310719
1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone
CID 163343809
2-methyl-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)propan-1-amine
CID 115372179
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345889
1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one
CID 115372220
5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
CID 115371975
5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942593
N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 133291071
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 56922896
5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 115372799
3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 133410717

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 155942755) is 5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is Cc1ccn(-c2ccc(N3CCN(c4ccn5nccc5n4)CC3)nn2)n1.
What is the InChIKey of 5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is NEWCLAMPLIPJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9/c1-14-5-8-27(23-14)18-3-2-17(21-22-18)25-12-10-24(11-13-25)15-6-9-26-16(20-15)4-7-19-26/h2-9H,10-13H2,1H3.
What are the key properties of 5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 361.41 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155942755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).