4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole

C14H21ClN2O — CID 113420937

IUPAC4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole
SMILESCCn1cc(CC2(CCl)CCOC2C2CC2)cn1
InChIInChI=1S/C14H21ClN2O/c1-2-17-9-11(8-16-17)7-14(10-15)5-6-18-13(14)12-3-4-12/h8-9,12-13H,2-7,10H2,1H3
InChIKeyFFEIWMFPABGGIN-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.87
Rot. Bonds5

About 4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole

4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole (PubChem CID 113420937) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole.

Molecular Properties

Compound Name4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole
PubChem CID113420937
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole
SMILESCCn1cc(CC2(CCl)CCOC2C2CC2)cn1
InChIInChI=1S/C14H21ClN2O/c1-2-17-9-11(8-16-17)7-14(10-15)5-6-18-13(14)12-3-4-12/h8-9,12-13H,2-7,10H2,1H3
InChIKeyFFEIWMFPABGGIN-UHFFFAOYSA-N
XLogP2.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.87
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-[[3-(chloromethyl)-2-methyloxolan-3-yl]methyl]-1-ethylpyrazole
CID 114535745
1-ethyl-4-(oxiran-2-ylmethyl)pyrazole
CID 115410523
1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 55106783
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane
CID 104510552
1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083823
N-[(1-ethylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 62126341
4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol
CID 62126069
1,4-diethylpyrazole;ethane
CID 143641951
N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 103014837

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole?
The IUPAC name of 4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole (CID 113420937) is 4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole.
What is the SMILES notation for 4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole?
The canonical SMILES for 4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole is CCn1cc(CC2(CCl)CCOC2C2CC2)cn1.
What is the InChIKey of 4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole?
The InChIKey is FFEIWMFPABGGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-17-9-11(8-16-17)7-14(10-15)5-6-18-13(14)12-3-4-12/h8-9,12-13H,2-7,10H2,1H3.
What are the key properties of 4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole?
4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole has a molecular weight of 268.79 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole is sourced from PubChem (CID 113420937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).