4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole

C17H23ClN2 — CID 82699922

IUPAC4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole
SMILESCCc1ccc(Cn2nc(CC)c(CCl)c2CC)cc1
InChIInChI=1S/C17H23ClN2/c1-4-13-7-9-14(10-8-13)12-20-17(6-3)15(11-18)16(5-2)19-20/h7-10H,4-6,11-12H2,1-3H3
InChIKeyZFFQQDLIMZACRS-UHFFFAOYSA-N
MW290.84 g/mol
LogP4.36
Rot. Bonds6

About 4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole

4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole (PubChem CID 82699922) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole
PubChem CID82699922
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole
SMILESCCc1ccc(Cn2nc(CC)c(CCl)c2CC)cc1
InChIInChI=1S/C17H23ClN2/c1-4-13-7-9-14(10-8-13)12-20-17(6-3)15(11-18)16(5-2)19-20/h7-10H,4-6,11-12H2,1-3H3
InChIKeyZFFQQDLIMZACRS-UHFFFAOYSA-N
XLogP4.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 54.36
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

[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
CID 82697742
2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 82699197
3,5-diethyl-1-[(4-ethylphenyl)methyl]-4-iodopyrazole
CID 82702248
4-(chloromethyl)-3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazole
CID 82698887
4-(chloromethyl)-3,5-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]pyrazole
CID 114349051
1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol
CID 82698546
[3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine
CID 82699760
1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697339
N-[[3,5-diethyl-1-[(4-iodophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 82700027
1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
CID 82700096
4-(chloromethyl)-3,5-diethyl-1-[(2-methoxyphenyl)methyl]pyrazole
CID 82700781
2-[1-[(4-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 79219433

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole?
The IUPAC name of 4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole (CID 82699922) is 4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole.
What is the SMILES notation for 4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole?
The canonical SMILES for 4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole is CCc1ccc(Cn2nc(CC)c(CCl)c2CC)cc1.
What is the InChIKey of 4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole?
The InChIKey is ZFFQQDLIMZACRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-4-13-7-9-14(10-8-13)12-20-17(6-3)15(11-18)16(5-2)19-20/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole?
4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole has a molecular weight of 290.84 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole is sourced from PubChem (CID 82699922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).