1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde

C14H11ClN4O — CID 106758345

IUPAC1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
SMILESCn1nccc1-c1nn(-c2ccc(Cl)cc2)cc1C=O
InChIInChI=1S/C14H11ClN4O/c1-18-13(6-7-16-18)14-10(9-20)8-19(17-14)12-4-2-11(15)3-5-12/h2-9H,1H3
InChIKeyAHJJZCCNFMDWTK-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.74
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde

1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde (PubChem CID 106758345) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
PubChem CID106758345
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
SMILESCn1nccc1-c1nn(-c2ccc(Cl)cc2)cc1C=O
InChIInChI=1S/C14H11ClN4O/c1-18-13(6-7-16-18)14-10(9-20)8-19(17-14)12-4-2-11(15)3-5-12/h2-9H,1H3
InChIKeyAHJJZCCNFMDWTK-UHFFFAOYSA-N
XLogP2.74
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
CID 106758363
1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carbaldehyde
CID 43324048
1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439093
1-[(3-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
CID 106758508
1-(4-chlorophenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-4-carbaldehyde
CID 91871478
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)pyrazole-4-carbaldehyde
CID 155010587
1-(4-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758581
1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
CID 106758457
3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine
CID 106758594
3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 43324124
5-(4-chlorophenyl)-1-methylpyrazole
CID 12581093
3-(2,4-dichloro-5-fluorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 3728641

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde (CID 106758345) is 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde is Cn1nccc1-c1nn(-c2ccc(Cl)cc2)cc1C=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde?
The InChIKey is AHJJZCCNFMDWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-18-13(6-7-16-18)14-10(9-20)8-19(17-14)12-4-2-11(15)3-5-12/h2-9H,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde?
1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde has a molecular weight of 286.72 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 106758345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).