(2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol

C16H24N6O — CID 95610890

IUPAC(2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(C[C@H](O)Cn1cccn1)C[C@H]1CCCN1c1cccnn1
InChIInChI=1S/C16H24N6O/c1-20(12-15(23)13-21-9-4-8-18-21)11-14-5-3-10-22(14)16-6-2-7-17-19-16/h2,4,6-9,14-15,23H,3,5,10-13H2,1H3/t14-,15+/m1/s1
InChIKeyPEUZKZHFKNOAHV-CABCVRRESA-N
MW316.41 g/mol
LogP0.63
Rot. Bonds7

About (2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 95610890) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is (2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID95610890
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name(2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(C[C@H](O)Cn1cccn1)C[C@H]1CCCN1c1cccnn1
InChIInChI=1S/C16H24N6O/c1-20(12-15(23)13-21-9-4-8-18-21)11-14-5-3-10-22(14)16-6-2-7-17-19-16/h2,4,6-9,14-15,23H,3,5,10-13H2,1H3/t14-,15+/m1/s1
InChIKeyPEUZKZHFKNOAHV-CABCVRRESA-N
XLogP0.63
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol
CID 56778258
2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile
CID 56780826
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778280
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 133281245
N-methyl-2-(4-propoxyphenoxy)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]ethanamine
CID 86894797
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778274
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95600328
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 133281201
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95600239
2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide
CID 56802082
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778278

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol (CID 95610890) is (2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol is CN(C[C@H](O)Cn1cccn1)C[C@H]1CCCN1c1cccnn1.
What is the InChIKey of (2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is PEUZKZHFKNOAHV-CABCVRRESA-N. The full InChI is InChI=1S/C16H24N6O/c1-20(12-15(23)13-21-9-4-8-18-21)11-14-5-3-10-22(14)16-6-2-7-17-19-16/h2,4,6-9,14-15,23H,3,5,10-13H2,1H3/t14-,15+/m1/s1.
What are the key properties of (2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 316.41 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 95610890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).