4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one

C10H12N4O — CID 154869277

IUPAC4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one
SMILESCC(C)n1ccc(-c2cn[nH]c(=O)c2)n1
InChIInChI=1S/C10H12N4O/c1-7(2)14-4-3-9(13-14)8-5-10(15)12-11-6-8/h3-7H,1-2H3,(H,12,15)
InChIKeyOMSNYMDWPHNUNN-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.21
Rot. Bonds2

About 4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one

4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one (PubChem CID 154869277) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one
PubChem CID154869277
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one
SMILESCC(C)n1ccc(-c2cn[nH]c(=O)c2)n1
InChIInChI=1S/C10H12N4O/c1-7(2)14-4-3-9(13-14)8-5-10(15)12-11-6-8/h3-7H,1-2H3,(H,12,15)
InChIKeyOMSNYMDWPHNUNN-UHFFFAOYSA-N
XLogP1.21
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-propan-2-ylpyrazol-3-yl)-1H-indole
CID 71071918
1-propan-2-yl-3-thiophen-3-ylpyrazole
CID 89311122
3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole
CID 174113164
3-(4-ethylphenyl)-1-propan-2-ylpyrazole
CID 176678956
4-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine
CID 146510649
7-(1-propan-2-ylpyrazol-3-yl)-1H-pyrazolo[4,5-c]pyridin-4-amine
CID 134316885
4-(2-hydroxyphenyl)-1H-pyridazin-6-one
CID 56927406
1-(benzenesulfonyl)-5-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridine;2-iodopropane
CID 159274864
3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole
CID 122658507
5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 166275064
4-(3,4-dichlorophenyl)-1H-pyridazin-6-one
CID 106516327
4-(4-propylphenyl)-1H-pyridazin-6-one
CID 106517178

Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one (CID 154869277) is 4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one is CC(C)n1ccc(-c2cn[nH]c(=O)c2)n1.
What is the InChIKey of 4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one?
The InChIKey is OMSNYMDWPHNUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7(2)14-4-3-9(13-14)8-5-10(15)12-11-6-8/h3-7H,1-2H3,(H,12,15).
What are the key properties of 4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one?
4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one has a molecular weight of 204.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 154869277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).