1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde

C10H10N4O — CID 96619449

IUPAC1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde
SMILESCc1nccc(-c2nn(C)cc2C=O)n1
InChIInChI=1S/C10H10N4O/c1-7-11-4-3-9(12-7)10-8(6-15)5-14(2)13-10/h3-6H,1-2H3
InChIKeyOMLJNKYBOZLZRO-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.00
Rot. Bonds2

About 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde

1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde (PubChem CID 96619449) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde
PubChem CID96619449
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde
SMILESCc1nccc(-c2nn(C)cc2C=O)n1
InChIInChI=1S/C10H10N4O/c1-7-11-4-3-9(12-7)10-8(6-15)5-14(2)13-10/h3-6H,1-2H3
InChIKeyOMLJNKYBOZLZRO-UHFFFAOYSA-N
XLogP1.00
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141286
1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
CID 43324290
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 115528106
3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
CID 43141306
3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde
CID 114798131
1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde
CID 82388354
3-(2-methylpyrimidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137012896
6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde
CID 115531238
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde
CID 115528201
1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine
CID 91581110
methyl 2-[2-(4-formyl-1-methylpyrazol-3-yl)phenoxy]acetate
CID 104508656
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazole-4-carbaldehyde
CID 66232952

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde (CID 96619449) is 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde is Cc1nccc(-c2nn(C)cc2C=O)n1.
What is the InChIKey of 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde?
The InChIKey is OMLJNKYBOZLZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7-11-4-3-9(12-7)10-8(6-15)5-14(2)13-10/h3-6H,1-2H3.
What are the key properties of 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde?
1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde has a molecular weight of 202.22 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 96619449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).