4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole

C12H13ClN2O — CID 116802044

IUPAC4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
SMILESCCn1cc(Oc2ccccc2CCl)cn1
InChIInChI=1S/C12H13ClN2O/c1-2-15-9-11(8-14-15)16-12-6-4-3-5-10(12)7-13/h3-6,8-9H,2,7H2,1H3
InChIKeyNFTYTHWOENZLPL-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.43
Rot. Bonds4

About 4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole

4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole (PubChem CID 116802044) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole.

Molecular Properties

Compound Name4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
PubChem CID116802044
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
SMILESCCn1cc(Oc2ccccc2CCl)cn1
InChIInChI=1S/C12H13ClN2O/c1-2-15-9-11(8-14-15)16-12-6-4-3-5-10(12)7-13/h3-6,8-9H,2,7H2,1H3
InChIKeyNFTYTHWOENZLPL-UHFFFAOYSA-N
XLogP3.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.43
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-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole
CID 114054833
5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine
CID 116802686
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801944
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801587
5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine
CID 116802687
1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine
CID 116804168
N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 116802111
1-[5-bromo-2-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114061875
4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
CID 116804675
1-benzyl-4-(2-methoxyphenoxy)pyrazole
CID 117234112
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole?
The IUPAC name of 4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole (CID 116802044) is 4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole.
What is the SMILES notation for 4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole?
The canonical SMILES for 4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole is CCn1cc(Oc2ccccc2CCl)cn1.
What is the InChIKey of 4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole?
The InChIKey is NFTYTHWOENZLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-15-9-11(8-14-15)16-12-6-4-3-5-10(12)7-13/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole?
4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole has a molecular weight of 236.70 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole is sourced from PubChem (CID 116802044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).