2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde

C12H14N2O3 — CID 89218715

IUPAC2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde
SMILESCOc1cc(C2C=NN(C)C2)cc(C=O)c1O
InChIInChI=1S/C12H14N2O3/c1-14-6-10(5-13-14)8-3-9(7-15)12(16)11(4-8)17-2/h3-5,7,10,16H,6H2,1-2H3
InChIKeyRIIZLIURTMQDRH-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.23
Rot. Bonds3

About 2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde

2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde (PubChem CID 89218715) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde
PubChem CID89218715
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde
SMILESCOc1cc(C2C=NN(C)C2)cc(C=O)c1O
InChIInChI=1S/C12H14N2O3/c1-14-6-10(5-13-14)8-3-9(7-15)12(16)11(4-8)17-2/h3-5,7,10,16H,6H2,1-2H3
InChIKeyRIIZLIURTMQDRH-UHFFFAOYSA-N
XLogP1.23
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
5-amino-2-hydroxy-3-methoxybenzaldehyde
CID 155701195
5-[2-(3-formyl-4-hydroxy-5-methoxyphenyl)ethyl]-2-hydroxy-3-methoxybenzaldehyde
CID 87078799
2-hydroxy-3-methoxy-5-propylbenzaldehyde
CID 14315769
2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde
CID 89289969
5-ethoxy-2-hydroxy-3-methoxybenzaldehyde
CID 134891933
3-(3-formyl-4-hydroxy-5-methoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870839
5-(2-aminophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224754
5-(3-amino-1,2-dihydroxypropyl)-2-hydroxy-3-methoxybenzaldehyde
CID 170828630
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde
CID 126763437
5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde
CID 169476016

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde (CID 89218715) is 2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde is COc1cc(C2C=NN(C)C2)cc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde?
The InChIKey is RIIZLIURTMQDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14-6-10(5-13-14)8-3-9(7-15)12(16)11(4-8)17-2/h3-5,7,10,16H,6H2,1-2H3.
What are the key properties of 2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde?
2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde has a molecular weight of 234.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-5-(2-methyl-3,4-dihydropyrazol-4-yl)benzaldehyde is sourced from PubChem (CID 89218715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).