5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole

C8H12Cl2N2 — CID 43156574

IUPAC5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole
SMILESCCCc1nn(C)c(Cl)c1CCl
InChIInChI=1S/C8H12Cl2N2/c1-3-4-7-6(5-9)8(10)12(2)11-7/h3-5H2,1-2H3
InChIKeyYVOPXTPKVUULIG-UHFFFAOYSA-N
MW207.10 g/mol
LogP2.76
Rot. Bonds3

About 5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole

5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole (PubChem CID 43156574) has the molecular formula C8H12Cl2N2 and a molecular weight of 207.10 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole
PubChem CID43156574
Molecular FormulaC8H12Cl2N2
Molecular Weight207.10 g/mol
Exact Mass206.04
IUPAC Name5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole
SMILESCCCc1nn(C)c(Cl)c1CCl
InChIInChI=1S/C8H12Cl2N2/c1-3-4-7-6(5-9)8(10)12(2)11-7/h3-5H2,1-2H3
InChIKeyYVOPXTPKVUULIG-UHFFFAOYSA-N
XLogP2.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole?
The IUPAC name of 5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole (CID 43156574) is 5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole?
The canonical SMILES for 5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole is CCCc1nn(C)c(Cl)c1CCl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole?
The InChIKey is YVOPXTPKVUULIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2N2/c1-3-4-7-6(5-9)8(10)12(2)11-7/h3-5H2,1-2H3.
What are the key properties of 5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole?
5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole has a molecular weight of 207.10 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole is sourced from PubChem (CID 43156574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).