1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde

C15H14N4O — CID 106758363

IUPAC1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
SMILESCc1ccccc1-n1cc(C=O)c(-c2ccnn2C)n1
InChIInChI=1S/C15H14N4O/c1-11-5-3-4-6-13(11)19-9-12(10-20)15(17-19)14-7-8-16-18(14)2/h3-10H,1-2H3
InChIKeyGFUQYSQDCAYNDO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.39
Rot. Bonds3

About 1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde

1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde (PubChem CID 106758363) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
PubChem CID106758363
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
SMILESCc1ccccc1-n1cc(C=O)c(-c2ccnn2C)n1
InChIInChI=1S/C15H14N4O/c1-11-5-3-4-6-13(11)19-9-12(10-20)15(17-19)14-7-8-16-18(14)2/h3-10H,1-2H3
InChIKeyGFUQYSQDCAYNDO-UHFFFAOYSA-N
XLogP2.39
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.39
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-Phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 877232
1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 877236
2-(1H-pyrazol-1-yl)benzaldehyde
CID 965866
4-(1H-Pyrazol-1-yl)benzaldehyde
CID 2776477
1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
CID 555820
3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 700989
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 2497380
1-[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]indoline
CID 1225706
3-Phenyl-1-P-tolyl-1H-pyrazole-4-carbaldehyde
CID 3827316
1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 820137
3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 848884
3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde
CID 2973279

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde (CID 106758363) is 1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde is Cc1ccccc1-n1cc(C=O)c(-c2ccnn2C)n1.
What is the InChIKey of 1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde?
The InChIKey is GFUQYSQDCAYNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-5-3-4-6-13(11)19-9-12(10-20)15(17-19)14-7-8-16-18(14)2/h3-10H,1-2H3.
What are the key properties of 1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde?
1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde has a molecular weight of 266.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 106758363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).