2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one

C17H23N5OS — CID 126925386

IUPAC2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1CCn1cccn1)CCSC2
InChIInChI=1S/C17H23N5OS/c23-17-11-14-13-24-10-4-16(14)19-22(17)12-15-3-1-6-20(15)8-9-21-7-2-5-18-21/h2,5,7,11,15H,1,3-4,6,8-10,12-13H2
InChIKeyVAWZWFAHRXXUSB-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.39
Rot. Bonds5

About 2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one

2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (PubChem CID 126925386) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
PubChem CID126925386
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1CCn1cccn1)CCSC2
InChIInChI=1S/C17H23N5OS/c23-17-11-14-13-24-10-4-16(14)19-22(17)12-15-3-1-6-20(15)8-9-21-7-2-5-18-21/h2,5,7,11,15H,1,3-4,6,8-10,12-13H2
InChIKeyVAWZWFAHRXXUSB-UHFFFAOYSA-N
XLogP1.39
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925517
2-[[1-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925527
2-[[1-[2-(2-oxoazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925526
2-[(1-methylpyrrolidin-2-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925583
2-[[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925446
2-[(1-cyclopentylpyrrolidin-2-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925370
2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925488
2-methyl-N-[[1-[2-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]pyrazole-3-carboxamide
CID 126938526
2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925456
N-[[1-[2-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]cyclopropanecarboxamide
CID 126938491
2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924917
2-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925367

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (CID 126925386) is 2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is O=c1cc2c(nn1CC1CCCN1CCn1cccn1)CCSC2.
What is the InChIKey of 2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The InChIKey is VAWZWFAHRXXUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c23-17-11-14-13-24-10-4-16(14)19-22(17)12-15-3-1-6-20(15)8-9-21-7-2-5-18-21/h2,5,7,11,15H,1,3-4,6,8-10,12-13H2.
What are the key properties of 2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one has a molecular weight of 345.47 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126925386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).