1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde

C12H12N2O2 — CID 86662721

IUPAC1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde
SMILESCOc1cccc(-n2cc(C)c(C=O)n2)c1
InChIInChI=1S/C12H12N2O2/c1-9-7-14(13-12(9)8-15)10-4-3-5-11(6-10)16-2/h3-8H,1-2H3
InChIKeyTUTCOMQADZMRMA-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.00
Rot. Bonds3

About 1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde

1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde (PubChem CID 86662721) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde
PubChem CID86662721
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde
SMILESCOc1cccc(-n2cc(C)c(C=O)n2)c1
InChIInChI=1S/C12H12N2O2/c1-9-7-14(13-12(9)8-15)10-4-3-5-11(6-10)16-2/h3-8H,1-2H3
InChIKeyTUTCOMQADZMRMA-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-1-(3-methoxyphenyl)pyrazole-4-carbaldehyde
CID 165473214
1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
CID 114798287
3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 82295157
methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate
CID 66777683
1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde
CID 174908697
3-[4-bromo-1-(3-methoxyphenyl)pyrazol-3-yl]propanoic acid
CID 116818732
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
3-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411
N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide
CID 57154308
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524
3-ethenyl-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazole
CID 102082633

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde?
The IUPAC name of 1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde (CID 86662721) is 1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde?
The canonical SMILES for 1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde is COc1cccc(-n2cc(C)c(C=O)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde?
The InChIKey is TUTCOMQADZMRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9-7-14(13-12(9)8-15)10-4-3-5-11(6-10)16-2/h3-8H,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde?
1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde is sourced from PubChem (CID 86662721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).