5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole

C14H17FN2O2 — CID 81174511

IUPAC5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole
SMILESCCOC(OCC)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H17FN2O2/c1-3-18-14(19-4-2)13-9-12(16-17-13)10-5-7-11(15)8-6-10/h5-9,14H,3-4H2,1-2H3,(H,16,17)
InChIKeyFUTAMUFIGHFJJM-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.29
Rot. Bonds6

About 5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole

5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole (PubChem CID 81174511) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole
PubChem CID81174511
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole
SMILESCCOC(OCC)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H17FN2O2/c1-3-18-14(19-4-2)13-9-12(16-17-13)10-5-7-11(15)8-6-10/h5-9,14H,3-4H2,1-2H3,(H,16,17)
InChIKeyFUTAMUFIGHFJJM-UHFFFAOYSA-N
XLogP3.29
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethyl 3-(4-fluorophenyl)-1h-pyrazole-5-carboxylate
CID 583549
5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenyl-1H-pyrazole
CID 155516159
3-(3-chloro-4-fluorophenyl)-5-(1,3-dioxan-2-yl)-1H-pyrazole
CID 155931745
5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole
CID 155932623
5-(1,3-dioxan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole
CID 155932702
4-(4-ethylphenyl)-5-(methoxymethyl)-3-methyl-1H-pyrazole
CID 121498919
Ethyl 5-(3-fluorophenyl)-1H-pyrazole-3-carboxylate
CID 42879153
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)methanol
CID 49756939
Ethyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 56956229
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol
CID 56992501
3-(Dimethoxymethyl)-7-[(4-fluorophenyl)methyl]-1,4,6,7-tetrahydrothiopyrano[3,4-d]pyrazole
CID 57644007
5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-carboxaldehyde dimethyl acetal
CID 58694831

Frequently Asked Questions

What is the IUPAC name of 5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole?
The IUPAC name of 5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole (CID 81174511) is 5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole is CCOC(OCC)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole?
The InChIKey is FUTAMUFIGHFJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-18-14(19-4-2)13-9-12(16-17-13)10-5-7-11(15)8-6-10/h5-9,14H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole?
5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole has a molecular weight of 264.30 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 81174511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).