4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole

C11H19ClN2O — CID 112591702

IUPAC4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole
SMILESCC(Cl)c1cnn(CCOC(C)(C)C)c1
InChIInChI=1S/C11H19ClN2O/c1-9(12)10-7-13-14(8-10)5-6-15-11(2,3)4/h7-9H,5-6H2,1-4H3
InChIKeyUGTDHTMHWGTTTF-UHFFFAOYSA-N
MW230.74 g/mol
LogP3.00
Rot. Bonds4

About 4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole

4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole (PubChem CID 112591702) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole.

Molecular Properties

Compound Name4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole
PubChem CID112591702
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole
SMILESCC(Cl)c1cnn(CCOC(C)(C)C)c1
InChIInChI=1S/C11H19ClN2O/c1-9(12)10-7-13-14(8-10)5-6-15-11(2,3)4/h7-9H,5-6H2,1-4H3
InChIKeyUGTDHTMHWGTTTF-UHFFFAOYSA-N
XLogP3.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-chloroethyl)-1-(2-phenylethyl)pyrazole
CID 62729657
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 122241007
(E)-3-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]prop-2-enoic acid
CID 122241003
4-(1-chloroethyl)-1-(3-phenylpropyl)pyrazole
CID 62732024
2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine
CID 105103681
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112587158
4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
CID 112589426
4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole
CID 112591369
1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
CID 103037028
4-bromo-3-iodo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole
CID 112592605
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine
CID 112591094
2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62457361

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole?
The IUPAC name of 4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole (CID 112591702) is 4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole.
What is the SMILES notation for 4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole?
The canonical SMILES for 4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole is CC(Cl)c1cnn(CCOC(C)(C)C)c1.
What is the InChIKey of 4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole?
The InChIKey is UGTDHTMHWGTTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O/c1-9(12)10-7-13-14(8-10)5-6-15-11(2,3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole?
4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole has a molecular weight of 230.74 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole is sourced from PubChem (CID 112591702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).