3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole

C14H16ClFN2O — CID 144845678

IUPAC3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole
SMILESCCOC(CC)c1cc(-c2ccc(F)c(Cl)c2)n[nH]1
InChIInChI=1S/C14H16ClFN2O/c1-3-14(19-4-2)13-8-12(17-18-13)9-5-6-11(16)10(15)7-9/h5-8,14H,3-4H2,1-2H3,(H,17,18)
InChIKeyZILAAPPXSMDVEJ-UHFFFAOYSA-N
MW282.75 g/mol
LogP4.36
Rot. Bonds5

About 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole

3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole (PubChem CID 144845678) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole
PubChem CID144845678
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole
SMILESCCOC(CC)c1cc(-c2ccc(F)c(Cl)c2)n[nH]1
InChIInChI=1S/C14H16ClFN2O/c1-3-14(19-4-2)13-8-12(17-18-13)9-5-6-11(16)10(15)7-9/h5-8,14H,3-4H2,1-2H3,(H,17,18)
InChIKeyZILAAPPXSMDVEJ-UHFFFAOYSA-N
XLogP4.36
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine
CID 16653083
5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole
CID 81174511
3-(3-chloro-4-fluorophenyl)-5-(1,3-dioxan-2-yl)-1H-pyrazole
CID 155931745
2-chloro-5-[4-chloro-5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-4-fluoroaniline
CID 54018674
2-chloro-5-[4-chloro-5-[difluoro(methoxy)methyl]-1H-pyrazol-3-yl]-4-fluoroaniline
CID 57123231
3-(5-Chloro-2-fluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
CID 59345329
3-(3,4-Difluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
CID 59345352
5-[(1R,2R)-1-(3-chloro-4-fluorophenyl)-2-ethoxy-2-phenylethyl]-5,6-dimethyl-1,4-dihydroindazole
CID 67424476
5-(diethoxymethyl)-3-(3,5-difluorophenyl)-1H-pyrazole
CID 68684839
4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole
CID 70149219
3-(3-chloro-4-fluorophenyl)-5-(diethoxymethyl)-1H-pyrazole
CID 81173958
5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 89293655

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole (CID 144845678) is 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole is CCOC(CC)c1cc(-c2ccc(F)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole?
The InChIKey is ZILAAPPXSMDVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-3-14(19-4-2)13-8-12(17-18-13)9-5-6-11(16)10(15)7-9/h5-8,14H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole?
3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole has a molecular weight of 282.75 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole is sourced from PubChem (CID 144845678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).