N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide

C26H28N6O3 — CID 55581049

IUPACN'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)NNC(=O)C(C)Oc3ccc4ccccc4c3)c2C)n1
InChIInChI=1S/C26H28N6O3/c1-15-12-16(2)28-26(27-15)32-18(4)23(17(3)31-32)14-24(33)29-30-25(34)19(5)35-22-11-10-20-8-6-7-9-21(20)13-22/h6-13,19H,14H2,1-5H3,(H,29,33)(H,30,34)
InChIKeyPNUPBCIMBBDJHJ-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.21
Rot. Bonds6

About N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide

N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide (PubChem CID 55581049) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide.

Molecular Properties

Compound NameN'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide
PubChem CID55581049
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC NameN'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)NNC(=O)C(C)Oc3ccc4ccccc4c3)c2C)n1
InChIInChI=1S/C26H28N6O3/c1-15-12-16(2)28-26(27-15)32-18(4)23(17(3)31-32)14-24(33)29-30-25(34)19(5)35-22-11-10-20-8-6-7-9-21(20)13-22/h6-13,19H,14H2,1-5H3,(H,29,33)(H,30,34)
InChIKeyPNUPBCIMBBDJHJ-UHFFFAOYSA-N
XLogP3.21
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide
CID 51959268
2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 55672775
2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119211776
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 55788841
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235
methyl 4-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-4-oxobutanoate
CID 8757583
(2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7760909
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 31908104

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The IUPAC name of N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide (CID 55581049) is N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide.
What is the SMILES notation for N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The canonical SMILES for N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide is Cc1cc(C)nc(-n2nc(C)c(CC(=O)NNC(=O)C(C)Oc3ccc4ccccc4c3)c2C)n1.
What is the InChIKey of N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The InChIKey is PNUPBCIMBBDJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-15-12-16(2)28-26(27-15)32-18(4)23(17(3)31-32)14-24(33)29-30-25(34)19(5)35-22-11-10-20-8-6-7-9-21(20)13-22/h6-13,19H,14H2,1-5H3,(H,29,33)(H,30,34).
What are the key properties of N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide?
N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide has a molecular weight of 472.55 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide is sourced from PubChem (CID 55581049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).