5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde

C14H14Cl2N2O — CID 63278953

IUPAC5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde
SMILESCCCc1nn(Cc2cccc(Cl)c2)c(Cl)c1C=O
InChIInChI=1S/C14H14Cl2N2O/c1-2-4-13-12(9-19)14(16)18(17-13)8-10-5-3-6-11(15)7-10/h3,5-7,9H,2,4,8H2,1H3
InChIKeyWMYMQKSGZZTVIF-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.00
Rot. Bonds5

About 5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde

5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde (PubChem CID 63278953) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde
PubChem CID63278953
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde
SMILESCCCc1nn(Cc2cccc(Cl)c2)c(Cl)c1C=O
InChIInChI=1S/C14H14Cl2N2O/c1-2-4-13-12(9-19)14(16)18(17-13)8-10-5-3-6-11(15)7-10/h3,5-7,9H,2,4,8H2,1H3
InChIKeyWMYMQKSGZZTVIF-UHFFFAOYSA-N
XLogP4.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.00
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

5-chloro-1-[(3-chlorophenyl)methyl]-3-methylpyrazole-4-carbaldehyde
CID 63278998
5-chloro-1-[(3-chlorophenyl)methyl]-4-nitro-3-propylpyrazole
CID 66014301
1-[(3-chlorophenyl)methyl]-5-propyltriazole-4-carbaldehyde
CID 82203617
[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol
CID 55172991
1-chloro-3-propylbenzene;formyl chloride
CID 174310499
3-(5-chloro-4-formyl-3-propylpyrazol-1-yl)propanenitrile
CID 43364153
[1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol
CID 55170494
5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde
CID 43328175
5-chloro-4-(chloromethyl)-1-[(3-chlorophenyl)methyl]-3-(methoxymethyl)pyrazole
CID 55172992
carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 161155208
(1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol
CID 43333639
1-[(2-bromophenyl)methyl]-5-chloro-3-ethylpyrazole-4-carbaldehyde
CID 63276748

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde (CID 63278953) is 5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde is CCCc1nn(Cc2cccc(Cl)c2)c(Cl)c1C=O.
What is the InChIKey of 5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde?
The InChIKey is WMYMQKSGZZTVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-2-4-13-12(9-19)14(16)18(17-13)8-10-5-3-6-11(15)7-10/h3,5-7,9H,2,4,8H2,1H3.
What are the key properties of 5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde?
5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde has a molecular weight of 297.19 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde is sourced from PubChem (CID 63278953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).