5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde

C14H14Cl2N2O — CID 63276363

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde
SMILESCC(C)c1nn(Cc2ccccc2Cl)c(Cl)c1C=O
InChIInChI=1S/C14H14Cl2N2O/c1-9(2)13-11(8-19)14(16)18(17-13)7-10-5-3-4-6-12(10)15/h3-6,8-9H,7H2,1-2H3
InChIKeyRRJVSVLMHQQOKS-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.17
Rot. Bonds4

About 5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde

5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde (PubChem CID 63276363) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde
PubChem CID63276363
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde
SMILESCC(C)c1nn(Cc2ccccc2Cl)c(Cl)c1C=O
InChIInChI=1S/C14H14Cl2N2O/c1-9(2)13-11(8-19)14(16)18(17-13)7-10-5-3-4-6-12(10)15/h3-6,8-9H,7H2,1-2H3
InChIKeyRRJVSVLMHQQOKS-UHFFFAOYSA-N
XLogP4.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-1-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde
CID 55170656
5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde
CID 61267063
1-[(2-bromophenyl)methyl]-5-chloro-3-methylpyrazole-4-carbaldehyde
CID 63276706
1-[(2-bromophenyl)methyl]-5-chloro-3-ethylpyrazole-4-carbaldehyde
CID 63276748
5-chloro-1-[(2-chlorophenyl)methyl]-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 55237713
5-chloro-1-[(2-methylphenyl)methyl]-4-nitro-3-propan-2-ylpyrazole
CID 66015495
1-[(2-chlorophenyl)methyl]-5-methyltriazole-4-carbaldehyde
CID 82203377
(E)-3-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-2-cyano-N-propan-2-ylprop-2-enamide
CID 8866434
[(1R)-1-cyanoethyl] (E)-3-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoate
CID 7913819
1-[(2-bromophenyl)methyl]-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 63276747
4-chloro-6-[(2-chlorophenyl)methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80731652
5-chloro-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carbaldehyde
CID 43328191

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde (CID 63276363) is 5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde is CC(C)c1nn(Cc2ccccc2Cl)c(Cl)c1C=O.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde?
The InChIKey is RRJVSVLMHQQOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-9(2)13-11(8-19)14(16)18(17-13)7-10-5-3-4-6-12(10)15/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde?
5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde has a molecular weight of 297.19 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 63276363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).