5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde

C10H10N4O2 — CID 145286916

IUPAC5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde
SMILESCc1cc(=O)[nH]c(-n2ncc(C=O)c2C)n1
InChIInChI=1S/C10H10N4O2/c1-6-3-9(16)13-10(12-6)14-7(2)8(5-15)4-11-14/h3-5H,1-2H3,(H,12,13,16)
InChIKeyHYAQOQGYNNDKFU-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.38
Rot. Bonds2

About 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde

5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde (PubChem CID 145286916) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde
PubChem CID145286916
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde
SMILESCc1cc(=O)[nH]c(-n2ncc(C=O)c2C)n1
InChIInChI=1S/C10H10N4O2/c1-6-3-9(16)13-10(12-6)14-7(2)8(5-15)4-11-14/h3-5H,1-2H3,(H,12,13,16)
InChIKeyHYAQOQGYNNDKFU-UHFFFAOYSA-N
XLogP0.38
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-propylpyrazole-4-carboxamide
CID 137049118
2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137128030
4-methyl-2-[5-methyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049037
5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(pyrazin-2-ylmethyl)pyrazole-4-carboxamide
CID 137128031
3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135780270
1-(2,5-dichlorophenyl)-5-methylpyrazole-4-carbaldehyde
CID 82528229
N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 137049041
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione
CID 135463212
1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde
CID 79150340
5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 6484683
2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135536917
2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135840406

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde (CID 145286916) is 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde is Cc1cc(=O)[nH]c(-n2ncc(C=O)c2C)n1.
What is the InChIKey of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is HYAQOQGYNNDKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-3-9(16)13-10(12-6)14-7(2)8(5-15)4-11-14/h3-5H,1-2H3,(H,12,13,16).
What are the key properties of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde?
5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 218.22 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 145286916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).