4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole

C14H16ClFN2 — CID 79437493

IUPAC4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole
SMILESCCn1cc(CC(CCl)c2ccc(F)cc2)cn1
InChIInChI=1S/C14H16ClFN2/c1-2-18-10-11(9-17-18)7-13(8-15)12-3-5-14(16)6-4-12/h3-6,9-10,13H,2,7-8H2,1H3
InChIKeyOJHBPDKPXHZIHE-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.61
Rot. Bonds5

About 4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole

4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole (PubChem CID 79437493) has the molecular formula C14H16ClFN2 and a molecular weight of 266.75 g/mol. Its IUPAC name is 4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole.

Molecular Properties

Compound Name4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole
PubChem CID79437493
Molecular FormulaC14H16ClFN2
Molecular Weight266.75 g/mol
Exact Mass266.10
IUPAC Name4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole
SMILESCCn1cc(CC(CCl)c2ccc(F)cc2)cn1
InChIInChI=1S/C14H16ClFN2/c1-2-18-10-11(9-17-18)7-13(8-15)12-3-5-14(16)6-4-12/h3-6,9-10,13H,2,7-8H2,1H3
InChIKeyOJHBPDKPXHZIHE-UHFFFAOYSA-N
XLogP3.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
CID 62126251
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 55041100
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 79437814
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine
CID 115922678
2-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 79438534
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid
CID 79440235
4-(3-chloro-2-methyl-3-phenylpropyl)-1-ethylpyrazole
CID 113460170
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62126626
1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822526
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
4-ethyl-1-(1-ethylpyrazol-4-yl)hexane-2,3-diol
CID 103459765

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole?
The IUPAC name of 4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole (CID 79437493) is 4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole.
What is the SMILES notation for 4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole?
The canonical SMILES for 4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole is CCn1cc(CC(CCl)c2ccc(F)cc2)cn1.
What is the InChIKey of 4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole?
The InChIKey is OJHBPDKPXHZIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2/c1-2-18-10-11(9-17-18)7-13(8-15)12-3-5-14(16)6-4-12/h3-6,9-10,13H,2,7-8H2,1H3.
What are the key properties of 4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole?
4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole has a molecular weight of 266.75 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole is sourced from PubChem (CID 79437493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).