2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol

C14H23N3O — CID 164633990

IUPAC2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol
SMILESCC(C)c1ccc(N2CC[C@H](C(C)(C)O)C2)nn1
InChIInChI=1S/C14H23N3O/c1-10(2)12-5-6-13(16-15-12)17-8-7-11(9-17)14(3,4)18/h5-6,10-11,18H,7-9H2,1-4H3/t11-/m0/s1
InChIKeyHFRMGFZSKZJTCT-NSHDSACASA-N
MW249.36 g/mol
LogP2.20
Rot. Bonds3

About 2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol

2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol (PubChem CID 164633990) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol
PubChem CID164633990
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol
SMILESCC(C)c1ccc(N2CC[C@H](C(C)(C)O)C2)nn1
InChIInChI=1S/C14H23N3O/c1-10(2)12-5-6-13(16-15-12)17-8-7-11(9-17)14(3,4)18/h5-6,10-11,18H,7-9H2,1-4H3/t11-/m0/s1
InChIKeyHFRMGFZSKZJTCT-NSHDSACASA-N
XLogP2.20
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol with MolForge

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Related Compounds

2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen
CID 166112098
1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one
CID 116973110
3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine
CID 58044020
1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol
CID 172575874
N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide
CID 95219826
2-(3-fluoropyrrolidin-1-yl)-6-propan-2-ylpyridine
CID 129154786
3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine
CID 155505349
2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol
CID 131916729
(1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol
CID 114271915
3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-6-methylpyridazine
CID 67965093
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol
CID 170928468

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol (CID 164633990) is 2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol is CC(C)c1ccc(N2CC[C@H](C(C)(C)O)C2)nn1.
What is the InChIKey of 2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol?
The InChIKey is HFRMGFZSKZJTCT-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)12-5-6-13(16-15-12)17-8-7-11(9-17)14(3,4)18/h5-6,10-11,18H,7-9H2,1-4H3/t11-/m0/s1.
What are the key properties of 2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol?
2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol has a molecular weight of 249.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 164633990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).