4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde

C12H12N2O — CID 82039735

IUPAC4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde
SMILESCc1n[nH]c(C)c1-c1ccc(C=O)cc1
InChIInChI=1S/C12H12N2O/c1-8-12(9(2)14-13-8)11-5-3-10(7-15)4-6-11/h3-7H,1-2H3,(H,13,14)
InChIKeyGVGZPRLAKNRNOP-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.51
Rot. Bonds2

About 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde

4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde (PubChem CID 82039735) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde
PubChem CID82039735
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde
SMILESCc1n[nH]c(C)c1-c1ccc(C=O)cc1
InChIInChI=1S/C12H12N2O/c1-8-12(9(2)14-13-8)11-5-3-10(7-15)4-6-11/h3-7H,1-2H3,(H,13,14)
InChIKeyGVGZPRLAKNRNOP-UHFFFAOYSA-N
XLogP2.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde?
The IUPAC name of 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde (CID 82039735) is 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde.
What is the SMILES notation for 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde?
The canonical SMILES for 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde is Cc1n[nH]c(C)c1-c1ccc(C=O)cc1.
What is the InChIKey of 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde?
The InChIKey is GVGZPRLAKNRNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-12(9(2)14-13-8)11-5-3-10(7-15)4-6-11/h3-7H,1-2H3,(H,13,14).
What are the key properties of 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde?
4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde has a molecular weight of 200.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzaldehyde is sourced from PubChem (CID 82039735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).