4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole

C11H19ClN2O — CID 62730924

IUPAC4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole
SMILESCCC(Cl)c1c(C)nn(CCOC)c1C
InChIInChI=1S/C11H19ClN2O/c1-5-10(12)11-8(2)13-14(9(11)3)6-7-15-4/h10H,5-7H2,1-4H3
InChIKeyDZWNDTXAGSGFAK-UHFFFAOYSA-N
MW230.74 g/mol
LogP2.84
Rot. Bonds5

About 4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole

4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole (PubChem CID 62730924) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole
PubChem CID62730924
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole
SMILESCCC(Cl)c1c(C)nn(CCOC)c1C
InChIInChI=1S/C11H19ClN2O/c1-5-10(12)11-8(2)13-14(9(11)3)6-7-15-4/h10H,5-7H2,1-4H3
InChIKeyDZWNDTXAGSGFAK-UHFFFAOYSA-N
XLogP2.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole (CID 62730924) is 4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole is CCC(Cl)c1c(C)nn(CCOC)c1C.
What is the InChIKey of 4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole?
The InChIKey is DZWNDTXAGSGFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O/c1-5-10(12)11-8(2)13-14(9(11)3)6-7-15-4/h10H,5-7H2,1-4H3.
What are the key properties of 4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole?
4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole has a molecular weight of 230.74 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 62730924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).