4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde

C12H12N2O2 — CID 82039718

IUPAC4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde
SMILESCOc1ccc(C=O)cc1-c1cnn(C)c1
InChIInChI=1S/C12H12N2O2/c1-14-7-10(6-13-14)11-5-9(8-15)3-4-12(11)16-2/h3-8H,1-2H3
InChIKeyDCZFCYYTPODHTB-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.91
Rot. Bonds3

About 4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde

4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde (PubChem CID 82039718) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde
PubChem CID82039718
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde
SMILESCOc1ccc(C=O)cc1-c1cnn(C)c1
InChIInChI=1S/C12H12N2O2/c1-14-7-10(6-13-14)11-5-9(8-15)3-4-12(11)16-2/h3-8H,1-2H3
InChIKeyDCZFCYYTPODHTB-UHFFFAOYSA-N
XLogP1.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
methyl (E)-3-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]but-2-enoate
CID 82543689
3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 22391301
4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde
CID 155899056
4-[[5-chloro-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methoxybenzaldehyde
CID 167428511
3,4-dimethoxy-5-(1-phenylpyrazol-4-yl)benzaldehyde
CID 82039924
[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 54980067
3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxybenzaldehyde
CID 118071467
3-(4-acetylphenyl)-4-methoxybenzaldehyde
CID 12987456
4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 82039757
2-methoxy-5-(1-methylpyrazol-4-yl)benzenethiol
CID 174151969

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde?
The IUPAC name of 4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde (CID 82039718) is 4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde.
What is the SMILES notation for 4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde?
The canonical SMILES for 4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde is COc1ccc(C=O)cc1-c1cnn(C)c1.
What is the InChIKey of 4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde?
The InChIKey is DCZFCYYTPODHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14-7-10(6-13-14)11-5-9(8-15)3-4-12(11)16-2/h3-8H,1-2H3.
What are the key properties of 4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde?
4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde has a molecular weight of 216.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde is sourced from PubChem (CID 82039718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).