3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine

C20H29N3O — CID 141200375

IUPAC3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine
SMILESc1cc(C2=NNCCC2)ccc1O[C@@H]1CCN(C2CCCCC2)C1
InChIInChI=1S/C20H29N3O/c1-2-5-17(6-3-1)23-14-12-19(15-23)24-18-10-8-16(9-11-18)20-7-4-13-21-22-20/h8-11,17,19,21H,1-7,12-15H2/t19-/m1/s1
InChIKeyYVJAXTGETHEAIA-LJQANCHMSA-N
MW327.47 g/mol
LogP3.56
Rot. Bonds4

About 3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine

3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine (PubChem CID 141200375) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine.

Molecular Properties

Compound Name3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine
PubChem CID141200375
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine
SMILESc1cc(C2=NNCCC2)ccc1O[C@@H]1CCN(C2CCCCC2)C1
InChIInChI=1S/C20H29N3O/c1-2-5-17(6-3-1)23-14-12-19(15-23)24-18-10-8-16(9-11-18)20-7-4-13-21-22-20/h8-11,17,19,21H,1-7,12-15H2/t19-/m1/s1
InChIKeyYVJAXTGETHEAIA-LJQANCHMSA-N
XLogP3.56
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one
CID 24993806
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522853
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
3-(4-fluorophenyl)-1,4,5,6-tetrahydropyridazine
CID 10678885
1-cyclohexyl-3-methoxypyrrolidine
CID 154019623
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
CID 68789971
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one
CID 66784665
3-(3-bromophenoxy)-1-cyclopentylpiperidine
CID 84606165
5-(1-piperidin-4-ylpyrrolidin-3-yl)oxy-2-(tetrazol-1-yl)pyridine
CID 141321068
5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine
CID 59830597
2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione
CID 67243853
3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine
CID 169114461

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine?
The IUPAC name of 3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine (CID 141200375) is 3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine.
What is the SMILES notation for 3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine?
The canonical SMILES for 3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine is c1cc(C2=NNCCC2)ccc1O[C@@H]1CCN(C2CCCCC2)C1.
What is the InChIKey of 3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine?
The InChIKey is YVJAXTGETHEAIA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H29N3O/c1-2-5-17(6-3-1)23-14-12-19(15-23)24-18-10-8-16(9-11-18)20-7-4-13-21-22-20/h8-11,17,19,21H,1-7,12-15H2/t19-/m1/s1.
What are the key properties of 3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine?
3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine has a molecular weight of 327.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine is sourced from PubChem (CID 141200375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).