4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole

C10H17ClN2O2 — CID 116800947

IUPAC4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(OCCOCCCl)cn1
InChIInChI=1S/C10H17ClN2O2/c1-9(2)13-8-10(7-12-13)15-6-5-14-4-3-11/h7-9H,3-6H2,1-2H3
InChIKeyPXTZSZMMGAYJAU-UHFFFAOYSA-N
MW232.71 g/mol
LogP2.10
Rot. Bonds7

About 4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole

4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole (PubChem CID 116800947) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
PubChem CID116800947
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(OCCOCCCl)cn1
InChIInChI=1S/C10H17ClN2O2/c1-9(2)13-8-10(7-12-13)15-6-5-14-4-3-11/h7-9H,3-6H2,1-2H3
InChIKeyPXTZSZMMGAYJAU-UHFFFAOYSA-N
XLogP2.10
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole
CID 103414014
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine
CID 167713446
4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole
CID 116805241
4-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]morpholine
CID 116805370
4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine
CID 116803962
N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
CID 116803927
4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805404
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
2-chloro-3-(1-propan-2-ylpyrazol-4-yl)oxypropanoic acid
CID 116804052

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole?
The IUPAC name of 4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole (CID 116800947) is 4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole?
The canonical SMILES for 4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole is CC(C)n1cc(OCCOCCCl)cn1.
What is the InChIKey of 4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole?
The InChIKey is PXTZSZMMGAYJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-9(2)13-8-10(7-12-13)15-6-5-14-4-3-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole?
4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole has a molecular weight of 232.71 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole is sourced from PubChem (CID 116800947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).