N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide

C24H29N5O4 — CID 66893140

IUPACN-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccn(CC(C)(C)O)n1)n1ncc(Oc2cccc3c2CCCC3)cc1=O
InChIInChI=1S/C24H29N5O4/c1-16(23(31)26-21-11-12-28(27-21)15-24(2,3)32)29-22(30)13-18(14-25-29)33-20-10-6-8-17-7-4-5-9-19(17)20/h6,8,10-14,16,32H,4-5,7,9,15H2,1-3H3,(H,26,27,31)
InChIKeyHPNLYRUGODPWQN-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.08
Rot. Bonds7

About N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide

N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide (PubChem CID 66893140) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide
PubChem CID66893140
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC NameN-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccn(CC(C)(C)O)n1)n1ncc(Oc2cccc3c2CCCC3)cc1=O
InChIInChI=1S/C24H29N5O4/c1-16(23(31)26-21-11-12-28(27-21)15-24(2,3)32)29-22(30)13-18(14-25-29)33-20-10-6-8-17-7-4-5-9-19(17)20/h6,8,10-14,16,32H,4-5,7,9,15H2,1-3H3,(H,26,27,31)
InChIKeyHPNLYRUGODPWQN-UHFFFAOYSA-N
XLogP3.08
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide
CID 66893458
2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid
CID 140541395
3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide
CID 143878459
2-[4-(benzenesulfinyl)-6-oxopyridazin-1-yl]-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 68991679
3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide
CID 143878437
(2S)-2-[4-(2,3-dichlorophenoxy)-2-hydroxypyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide
CID 91040216
2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide
CID 66893662
(2S)-2-[2-hydroxy-4-[(2-methyl-1,3-benzoxazol-4-yl)oxy]pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-4-methylpentanamide
CID 91119088
3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(2,3,6-trimethylphenoxy)pyridazin-1-yl]propanamide
CID 66894213
2-[3-(3-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 66899118
2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide
CID 66899399
2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide
CID 66894128

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide?
The IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide (CID 66893140) is N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide.
What is the SMILES notation for N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide?
The canonical SMILES for N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide is CC(C(=O)Nc1ccn(CC(C)(C)O)n1)n1ncc(Oc2cccc3c2CCCC3)cc1=O.
What is the InChIKey of N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide?
The InChIKey is HPNLYRUGODPWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-16(23(31)26-21-11-12-28(27-21)15-24(2,3)32)29-22(30)13-18(14-25-29)33-20-10-6-8-17-7-4-5-9-19(17)20/h6,8,10-14,16,32H,4-5,7,9,15H2,1-3H3,(H,26,27,31).
What are the key properties of N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide?
N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide has a molecular weight of 451.53 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide is sourced from PubChem (CID 66893140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).