1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde

C11H8Cl2N2O — CID 139674921

IUPAC1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde
SMILESCc1cnn(-c2cc(Cl)cc(Cl)c2)c1C=O
InChIInChI=1S/C11H8Cl2N2O/c1-7-5-14-15(11(7)6-16)10-3-8(12)2-9(13)4-10/h2-6H,1H3
InChIKeyQEYFYHLVPIVXSL-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.30
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde

1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde (PubChem CID 139674921) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde
PubChem CID139674921
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde
SMILESCc1cnn(-c2cc(Cl)cc(Cl)c2)c1C=O
InChIInChI=1S/C11H8Cl2N2O/c1-7-5-14-15(11(7)6-16)10-3-8(12)2-9(13)4-10/h2-6H,1H3
InChIKeyQEYFYHLVPIVXSL-UHFFFAOYSA-N
XLogP3.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde
CID 139674959
3-[1-(3,5-dichlorophenyl)-5-methylpyrazol-4-yl]propanoic acid
CID 82528185
5-chloro-2-(3,5-dichlorophenyl)-1,2,4-triazin-3-one
CID 15434936
4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde
CID 139675198
2-[1-(3,5-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528188
4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde
CID 139675289
1-(3-chloroprop-2-enyl)-4-methylpyrazole-5-carbaldehyde
CID 139675384
5-chloro-1-(4-chlorophenyl)-4-methylpyrazole
CID 20686663
2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one
CID 86105894
N-(diaminomethylidene)-1-(3,5-dichlorophenyl)-5-methylpyrazole-4-carboxamide
CID 22267735
1-(2,5-dichlorophenyl)-5-methylpyrazole-4-carbaldehyde
CID 82528229
1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole
CID 22087311

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde?
The IUPAC name of 1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde (CID 139674921) is 1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde?
The canonical SMILES for 1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde is Cc1cnn(-c2cc(Cl)cc(Cl)c2)c1C=O.
What is the InChIKey of 1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde?
The InChIKey is QEYFYHLVPIVXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-7-5-14-15(11(7)6-16)10-3-8(12)2-9(13)4-10/h2-6H,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde?
1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde has a molecular weight of 255.10 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde is sourced from PubChem (CID 139674921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).