2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde

C14H16N2O3 — CID 66098059

IUPAC2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2cnn(C)c2C)cc1OC
InChIInChI=1S/C14H16N2O3/c1-9-12(7-15-16(9)2)11-6-14(19-4)13(18-3)5-10(11)8-17/h5-8H,1-4H3
InChIKeySVUMAOKCRCAJJB-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.23
Rot. Bonds4

About 2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde

2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde (PubChem CID 66098059) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde
PubChem CID66098059
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2cnn(C)c2C)cc1OC
InChIInChI=1S/C14H16N2O3/c1-9-12(7-15-16(9)2)11-6-14(19-4)13(18-3)5-10(11)8-17/h5-8H,1-4H3
InChIKeySVUMAOKCRCAJJB-UHFFFAOYSA-N
XLogP2.23
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.23
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

5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid
CID 2798292
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-1H-pyrazole-4-carbaldehyde
CID 7131532
2,3-dimethoxy-11-methyl-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one
CID 3522990
2-Hydroxy-3-methoxy-5-(1-methyl-1H-pyrazol-4-yl)benzaldehyde
CID 39225131
US9856220, Example 269
CID 89541904
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 693094
5-(3-Methoxyphenyl)-1-methyl-1H-pyrazole-4-carboxaldehyde
CID 83821629
(Z)-3-(3-(3,4-dimethoxyphenyl)-4-(3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl)-1H-pyrazol-1-yl)propanoic acid
CID 16807113
4-(1-(2-fluorobenzyl)-1H-pyrazol-4-yl)-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one
CID 25196852
2-[1-[[4-Methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone
CID 149466010
4-(1,5-Dimethylpyrazol-4-yl)-4-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]butan-2-one
CID 155466405
Chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)benzaldehyde
CID 155745962

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde (CID 66098059) is 2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde is COc1cc(C=O)c(-c2cnn(C)c2C)cc1OC.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde?
The InChIKey is SVUMAOKCRCAJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-12(7-15-16(9)2)11-6-14(19-4)13(18-3)5-10(11)8-17/h5-8H,1-4H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde?
2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde has a molecular weight of 260.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde is sourced from PubChem (CID 66098059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).