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

C13H14ClFN2O — CID 118069368

IUPAC3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole
SMILESCCOC(C)c1cc(-c2ccc(F)c(Cl)c2)n[nH]1
InChIInChI=1S/C13H14ClFN2O/c1-3-18-8(2)12-7-13(17-16-12)9-4-5-11(15)10(14)6-9/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyOVGXGMLFTQMVNW-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.97
Rot. Bonds4

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

3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole (PubChem CID 118069368) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole
PubChem CID118069368
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole
SMILESCCOC(C)c1cc(-c2ccc(F)c(Cl)c2)n[nH]1
InChIInChI=1S/C13H14ClFN2O/c1-3-18-8(2)12-7-13(17-16-12)9-4-5-11(15)10(14)6-9/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyOVGXGMLFTQMVNW-UHFFFAOYSA-N
XLogP3.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.97
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
4-(4-chlorophenyl)-3-(methoxymethyl)-1H-pyrazol-5-amine hydrochloride
CID 43810771
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
5-[4-bromo-5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-2-chloroaniline
CID 57229946
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
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-ethoxyethyl)-1H-pyrazole?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole (CID 118069368) is 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole is CCOC(C)c1cc(-c2ccc(F)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole?
The InChIKey is OVGXGMLFTQMVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-3-18-8(2)12-7-13(17-16-12)9-4-5-11(15)10(14)6-9/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole?
3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole has a molecular weight of 268.72 g/mol, XLogP of 3.97, 4 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-ethoxyethyl)-1H-pyrazole is sourced from PubChem (CID 118069368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).