5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole

C15H18Cl2N2 — CID 103018288

IUPAC5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole
SMILESCn1nccc1CCC(CCl)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H18Cl2N2/c1-19-15(8-9-18-19)7-4-13(11-16)10-12-2-5-14(17)6-3-12/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3
InChIKeyUTPFUAZSKQCNEL-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.10
Rot. Bonds6

About 5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole

5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole (PubChem CID 103018288) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole
PubChem CID103018288
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole
SMILESCn1nccc1CCC(CCl)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H18Cl2N2/c1-19-15(8-9-18-19)7-4-13(11-16)10-12-2-5-14(17)6-3-12/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3
InChIKeyUTPFUAZSKQCNEL-UHFFFAOYSA-N
XLogP4.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.10
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

1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103008961
1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005996
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103027979
2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014266
1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030412
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
1-chloro-4-[2-(chloromethyl)octyl]benzene
CID 66034614
1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009058
1-(3,4-difluorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103031007

Frequently Asked Questions

What is the IUPAC name of 5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole?
The IUPAC name of 5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole (CID 103018288) is 5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole.
What is the SMILES notation for 5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole?
The canonical SMILES for 5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole is Cn1nccc1CCC(CCl)Cc1ccc(Cl)cc1.
What is the InChIKey of 5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole?
The InChIKey is UTPFUAZSKQCNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-19-15(8-9-18-19)7-4-13(11-16)10-12-2-5-14(17)6-3-12/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3.
What are the key properties of 5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole?
5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole has a molecular weight of 297.23 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole is sourced from PubChem (CID 103018288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).