4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride

C7H12Cl2N2 — CID 131860379

IUPAC4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride
SMILESCc1n[nH]c(C)c1CCCl.Cl
InChIInChI=1S/C7H11ClN2.ClH/c1-5-7(3-4-8)6(2)10-9-5;/h3-4H2,1-2H3,(H,9,10);1H
InChIKeyOWPLCTFPVLDJMZ-UHFFFAOYSA-N
MW195.09 g/mol
LogP2.23
Rot. Bonds2

About 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride

4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride (PubChem CID 131860379) has the molecular formula C7H12Cl2N2 and a molecular weight of 195.09 g/mol. Its IUPAC name is 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride
PubChem CID131860379
Molecular FormulaC7H12Cl2N2
Molecular Weight195.09 g/mol
Exact Mass194.04
IUPAC Name4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride
SMILESCc1n[nH]c(C)c1CCCl.Cl
InChIInChI=1S/C7H11ClN2.ClH/c1-5-7(3-4-8)6(2)10-9-5;/h3-4H2,1-2H3,(H,9,10);1H
InChIKeyOWPLCTFPVLDJMZ-UHFFFAOYSA-N
XLogP2.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.09
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloroethyl)-5-methyl-3-propan-2-yl-1H-pyrazole
CID 121212794
3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid;hydrochloride
CID 47000616
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpropan-1-amine
CID 118794146
5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole
CID 75510425
3-(2-chloroethyl)-5-methyl-1H-1,2,4-triazole;hydrochloride
CID 146155711
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 62326528
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 12978503
(2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine
CID 104868147
3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole
CID 879148
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole
CID 123634928
3,5-dimethyl-4-[4-(4-methylphenoxy)butyl]-1H-pyrazole
CID 2057777
4-[5-(3-chlorophenoxy)pentyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 163332805

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride?
The IUPAC name of 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride (CID 131860379) is 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride.
What is the SMILES notation for 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride?
The canonical SMILES for 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride is Cc1n[nH]c(C)c1CCCl.Cl.
What is the InChIKey of 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride?
The InChIKey is OWPLCTFPVLDJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2.ClH/c1-5-7(3-4-8)6(2)10-9-5;/h3-4H2,1-2H3,(H,9,10);1H.
What are the key properties of 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride?
4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride has a molecular weight of 195.09 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride is sourced from PubChem (CID 131860379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).