4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde

C12H12N2O2 — CID 39222044

IUPAC4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde
SMILESCOc1ccc(C=O)cc1-c1cn[nH]c1C
InChIInChI=1S/C12H12N2O2/c1-8-11(6-13-14-8)10-5-9(7-15)3-4-12(10)16-2/h3-7H,1-2H3,(H,13,14)
InChIKeyNSSNQLXQEXFSCO-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.21
Rot. Bonds3

About 4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde

4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde (PubChem CID 39222044) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde
PubChem CID39222044
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde
SMILESCOc1ccc(C=O)cc1-c1cn[nH]c1C
InChIInChI=1S/C12H12N2O2/c1-8-11(6-13-14-8)10-5-9(7-15)3-4-12(10)16-2/h3-7H,1-2H3,(H,13,14)
InChIKeyNSSNQLXQEXFSCO-UHFFFAOYSA-N
XLogP2.21
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde
CID 82039287
4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde
CID 15714587
4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde
CID 82039718
3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde
CID 166638981
4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 105422977
4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 82039757
3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxybenzaldehyde
CID 118071467
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
(4-formyl-2-methoxyphenyl) methanesulfonate
CID 3650004

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde?
The IUPAC name of 4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde (CID 39222044) is 4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde.
What is the SMILES notation for 4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde?
The canonical SMILES for 4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde is COc1ccc(C=O)cc1-c1cn[nH]c1C.
What is the InChIKey of 4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde?
The InChIKey is NSSNQLXQEXFSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-11(6-13-14-8)10-5-9(7-15)3-4-12(10)16-2/h3-7H,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde?
4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde has a molecular weight of 216.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde is sourced from PubChem (CID 39222044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).