5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde

C13H13ClN2O — CID 122476934

IUPAC5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde
SMILESCCCn1nc(C=O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O/c1-2-7-16-13(8-12(9-17)15-16)10-3-5-11(14)6-4-10/h3-6,8-9H,2,7H2,1H3
InChIKeyHYWOJVOKYIEGOB-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.43
Rot. Bonds4

About 5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde

5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde (PubChem CID 122476934) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde
PubChem CID122476934
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde
SMILESCCCn1nc(C=O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O/c1-2-7-16-13(8-12(9-17)15-16)10-3-5-11(14)6-4-10/h3-6,8-9H,2,7H2,1H3
InChIKeyHYWOJVOKYIEGOB-UHFFFAOYSA-N
XLogP3.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-1-propylpyrazole-3-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-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde
CID 28808628
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
5-(4-methylphenyl)-1-propylpyrazol-3-amine
CID 67610637
7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde
CID 164946401
1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde
CID 82519268
1-butyl-3-(4-chlorophenyl)pyrazole-4-carbaldehyde
CID 61271462
3-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carbaldehyde
CID 115093132
5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole
CID 136556765
5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 110336255
5-methyl-2-propylpyrazole-3-carbaldehyde
CID 102538374
6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde
CID 82447606
1-octyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde
CID 139674916

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde?
The IUPAC name of 5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde (CID 122476934) is 5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde.
What is the SMILES notation for 5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde?
The canonical SMILES for 5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde is CCCn1nc(C=O)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde?
The InChIKey is HYWOJVOKYIEGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-2-7-16-13(8-12(9-17)15-16)10-3-5-11(14)6-4-10/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde?
5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde has a molecular weight of 248.71 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde is sourced from PubChem (CID 122476934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).