2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one

C20H19N5O — CID 139950230

IUPAC2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one
SMILESCC(C)Cn1nc(-c2c(-c3ccccc3)nn3ccncc23)ccc1=O
InChIInChI=1S/C20H19N5O/c1-14(2)13-25-18(26)9-8-16(22-25)19-17-12-21-10-11-24(17)23-20(19)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3
InChIKeyRNXFYEIQLJBWNY-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.28
Rot. Bonds4

About 2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one

2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one (PubChem CID 139950230) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one
PubChem CID139950230
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one
SMILESCC(C)Cn1nc(-c2c(-c3ccccc3)nn3ccncc23)ccc1=O
InChIInChI=1S/C20H19N5O/c1-14(2)13-25-18(26)9-8-16(22-25)19-17-12-21-10-11-24(17)23-20(19)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3
InChIKeyRNXFYEIQLJBWNY-UHFFFAOYSA-N
XLogP3.28
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-oxolan-3-yl]-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one
CID 70067753
6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-methylpyridazin-3-one
CID 139950248
2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 19008993
3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid
CID 10784740
methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate
CID 10499639
ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate
CID 11068777
N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide
CID 11100793
2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 10981452
2-[2-(azepan-1-yl)ethyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 10982551
2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 139890304
ethyl 8-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]octanoate
CID 67747014
6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one
CID 70067876

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one?
The IUPAC name of 2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one (CID 139950230) is 2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one?
The canonical SMILES for 2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one is CC(C)Cn1nc(-c2c(-c3ccccc3)nn3ccncc23)ccc1=O.
What is the InChIKey of 2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one?
The InChIKey is RNXFYEIQLJBWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14(2)13-25-18(26)9-8-16(22-25)19-17-12-21-10-11-24(17)23-20(19)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one?
2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one has a molecular weight of 345.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one is sourced from PubChem (CID 139950230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).