[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

C20H24N4O2 — CID 139004895

IUPAC[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1CCC(CO)(c2ccccc2)C1
InChIInChI=1S/C20H24N4O2/c25-15-20(16-6-2-1-3-7-16)10-13-24(14-20)19(26)17-8-9-18(22-21-17)23-11-4-5-12-23/h1-3,6-9,25H,4-5,10-15H2
InChIKeyOXUYRZVEMLOQBW-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.85
Rot. Bonds4

About [3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (PubChem CID 139004895) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
PubChem CID139004895
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1CCC(CO)(c2ccccc2)C1
InChIInChI=1S/C20H24N4O2/c25-15-20(16-6-2-1-3-7-16)10-13-24(14-20)19(26)17-8-9-18(22-21-17)23-11-4-5-12-23/h1-3,6-9,25H,4-5,10-15H2
InChIKeyOXUYRZVEMLOQBW-UHFFFAOYSA-N
XLogP1.85
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111739
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027865
[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111774
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111899
[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
CID 138023342
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057709
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112634

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (CID 139004895) is [3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is O=C(c1ccc(N2CCCC2)nn1)N1CCC(CO)(c2ccccc2)C1.
What is the InChIKey of [3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The InChIKey is OXUYRZVEMLOQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-15-20(16-6-2-1-3-7-16)10-13-24(14-20)19(26)17-8-9-18(22-21-17)23-11-4-5-12-23/h1-3,6-9,25H,4-5,10-15H2.
What are the key properties of [3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 139004895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).