4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole

C17H22Cl2N2 — CID 79423087

IUPAC4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole
SMILESCCc1nn(CC)c(CC(CCl)c2cccc(C)c2)c1Cl
InChIInChI=1S/C17H22Cl2N2/c1-4-15-17(19)16(21(5-2)20-15)10-14(11-18)13-8-6-7-12(3)9-13/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyAYWSHQYAQMFYCC-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.99
Rot. Bonds6

About 4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole

4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole (PubChem CID 79423087) has the molecular formula C17H22Cl2N2 and a molecular weight of 325.28 g/mol. Its IUPAC name is 4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole.

Molecular Properties

Compound Name4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole
PubChem CID79423087
Molecular FormulaC17H22Cl2N2
Molecular Weight325.28 g/mol
Exact Mass324.12
IUPAC Name4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole
SMILESCCc1nn(CC)c(CC(CCl)c2cccc(C)c2)c1Cl
InChIInChI=1S/C17H22Cl2N2/c1-4-15-17(19)16(21(5-2)20-15)10-14(11-18)13-8-6-7-12(3)9-13/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyAYWSHQYAQMFYCC-UHFFFAOYSA-N
XLogP4.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-amine
CID 79432932
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-(3-methylphenyl)propan-1-ol
CID 79424330
5-(3-bromo-2-phenylpropyl)-4-chloro-1,3-diethylpyrazole
CID 66041659
5-(3-bromo-2-methyl-3-phenylpropyl)-4-chloro-1,3-diethylpyrazole
CID 104846518
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine
CID 105001430
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethanamine
CID 107102651
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylsulfanyl]-4-methylaniline
CID 79142466
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200822
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)propanoic acid
CID 79431571
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416832
2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol
CID 79437383
5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 79432479

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole?
The IUPAC name of 4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole (CID 79423087) is 4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole.
What is the SMILES notation for 4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole?
The canonical SMILES for 4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole is CCc1nn(CC)c(CC(CCl)c2cccc(C)c2)c1Cl.
What is the InChIKey of 4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole?
The InChIKey is AYWSHQYAQMFYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2/c1-4-15-17(19)16(21(5-2)20-15)10-14(11-18)13-8-6-7-12(3)9-13/h6-9,14H,4-5,10-11H2,1-3H3.
What are the key properties of 4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole?
4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole has a molecular weight of 325.28 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole is sourced from PubChem (CID 79423087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).