4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole

C10H14Cl2N2 — CID 79603940

IUPAC4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(CC=CCCCl)c1Cl
InChIInChI=1S/C10H14Cl2N2/c1-8-10(12)9(14(2)13-8)6-4-3-5-7-11/h3-4H,5-7H2,1-2H3
InChIKeyCYKLEJBPGGIGTM-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.11
Rot. Bonds4

About 4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole

4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole (PubChem CID 79603940) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole
PubChem CID79603940
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(CC=CCCCl)c1Cl
InChIInChI=1S/C10H14Cl2N2/c1-8-10(12)9(14(2)13-8)6-4-3-5-7-11/h3-4H,5-7H2,1-2H3
InChIKeyCYKLEJBPGGIGTM-UHFFFAOYSA-N
XLogP3.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole 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

4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole
CID 79603685
5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine
CID 79592250
O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine
CID 79427033
4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole
CID 66060387
4-chloro-5-[2-(chloromethyl)-2-ethylbutyl]-1,3-dimethylpyrazole
CID 66034043
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine
CID 66025319
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,1-dimethylhydrazine
CID 83014675
5-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine
CID 79590293
5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one
CID 66045871
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 114979264
(2S)-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]propanoic acid
CID 104876117
4-chloro-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,2-dimethylbutan-1-amine
CID 106140381

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole?
The IUPAC name of 4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole (CID 79603940) is 4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole?
The canonical SMILES for 4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole is Cc1nn(C)c(CC=CCCCl)c1Cl.
What is the InChIKey of 4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole?
The InChIKey is CYKLEJBPGGIGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-8-10(12)9(14(2)13-8)6-4-3-5-7-11/h3-4H,5-7H2,1-2H3.
What are the key properties of 4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole?
4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole has a molecular weight of 233.14 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 79603940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).