(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one

C15H20N6O — CID 95601742

IUPAC(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCC(Nc2cccnn2)CC1)n1cccn1
InChIInChI=1S/C15H20N6O/c1-12(21-9-3-8-17-21)15(22)20-10-5-13(6-11-20)18-14-4-2-7-16-19-14/h2-4,7-9,12-13H,5-6,10-11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyUAUULHNBRJXRHZ-LBPRGKRZSA-N
MW300.37 g/mol
LogP1.34
Rot. Bonds4

About (2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one

(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one (PubChem CID 95601742) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
PubChem CID95601742
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCC(Nc2cccnn2)CC1)n1cccn1
InChIInChI=1S/C15H20N6O/c1-12(21-9-3-8-17-21)15(22)20-10-5-13(6-11-20)18-14-4-2-7-16-19-14/h2-4,7-9,12-13H,5-6,10-11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyUAUULHNBRJXRHZ-LBPRGKRZSA-N
XLogP1.34
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(2,5-dimethylpyrrol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95331691
(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503792
N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide
CID 95601751
1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
CID 121165072
1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 122336193
4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 119879728
4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]benzonitrile
CID 56778506
N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide
CID 124619861
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 56778514
2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 122084290

Frequently Asked Questions

What is the IUPAC name of (2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one (CID 95601742) is (2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one is C[C@@H](C(=O)N1CCC(Nc2cccnn2)CC1)n1cccn1.
What is the InChIKey of (2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The InChIKey is UAUULHNBRJXRHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N6O/c1-12(21-9-3-8-17-21)15(22)20-10-5-13(6-11-20)18-14-4-2-7-16-19-14/h2-4,7-9,12-13H,5-6,10-11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one has a molecular weight of 300.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95601742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).