4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole

C14H16Cl2N2 — CID 66050323

IUPAC4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole
SMILESCn1cc(CC(CCl)Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C14H16Cl2N2/c1-18-10-13(9-17-18)6-12(8-15)5-11-3-2-4-14(16)7-11/h2-4,7,9-10,12H,5-6,8H2,1H3
InChIKeyJTXGZFHZRMUAIH-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.71
Rot. Bonds5

About 4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole

4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole (PubChem CID 66050323) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole
PubChem CID66050323
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole
SMILESCn1cc(CC(CCl)Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C14H16Cl2N2/c1-18-10-13(9-17-18)6-12(8-15)5-11-3-2-4-14(16)7-11/h2-4,7,9-10,12H,5-6,8H2,1H3
InChIKeyJTXGZFHZRMUAIH-UHFFFAOYSA-N
XLogP3.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.71
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

4-[3-[(3-bromophenyl)methyl]-4-chlorobutyl]-1-methylpyrazole
CID 103018312
1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene
CID 66049437
2-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 66057828
5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole
CID 66050768
1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 105082685
1-chloro-3-(3-chloro-2-methylpropyl)benzene
CID 64665246
1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66048137
4-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole
CID 66047702
4-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-1-methylpyrazole
CID 79453666
1-chloro-3-[2-(chloromethyl)-4-methylhexyl]benzene
CID 66048800
2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515952
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole?
The IUPAC name of 4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole (CID 66050323) is 4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole.
What is the SMILES notation for 4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole?
The canonical SMILES for 4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole is Cn1cc(CC(CCl)Cc2cccc(Cl)c2)cn1.
What is the InChIKey of 4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole?
The InChIKey is JTXGZFHZRMUAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-18-10-13(9-17-18)6-12(8-15)5-11-3-2-4-14(16)7-11/h2-4,7,9-10,12H,5-6,8H2,1H3.
What are the key properties of 4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole?
4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole has a molecular weight of 283.20 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole is sourced from PubChem (CID 66050323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).