2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol

C17H26N6O — CID 97199193

IUPAC2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C17H26N6O/c1-13-16(14(2)23(21-13)9-10-24)12-18-11-15-5-4-8-22(15)17-6-3-7-19-20-17/h3,6-7,15,18,24H,4-5,8-12H2,1-2H3/t15-/m0/s1
InChIKeyWLDGJMHPUCTEDY-HNNXBMFYSA-N
MW330.44 g/mol
LogP1.04
Rot. Bonds7

About 2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 97199193) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID97199193
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C17H26N6O/c1-13-16(14(2)23(21-13)9-10-24)12-18-11-15-5-4-8-22(15)17-6-3-7-19-20-17/h3,6-7,15,18,24H,4-5,8-12H2,1-2H3/t15-/m0/s1
InChIKeyWLDGJMHPUCTEDY-HNNXBMFYSA-N
XLogP1.04
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95764526
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95600206
N-[(4-methylsulfonylphenyl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95610651
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol
CID 95582557
2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47615834
N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95766325
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95600122
2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 95582527
(1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol
CID 95764540

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol (CID 97199193) is 2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNC[C@@H]1CCCN1c1cccnn1.
What is the InChIKey of 2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is WLDGJMHPUCTEDY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13-16(14(2)23(21-13)9-10-24)12-18-11-15-5-4-8-22(15)17-6-3-7-19-20-17/h3,6-7,15,18,24H,4-5,8-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 330.44 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 97199193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).