3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole

C13H17FN2O — CID 167847633

IUPAC3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole
SMILESCCC1CC=NN1Cc1cc(F)ccc1OC
InChIInChI=1S/C13H17FN2O/c1-3-12-6-7-15-16(12)9-10-8-11(14)4-5-13(10)17-2/h4-5,7-8,12H,3,6,9H2,1-2H3
InChIKeyZVMAFBVXTAZWAT-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.80
Rot. Bonds4

About 3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole

3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole (PubChem CID 167847633) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole
PubChem CID167847633
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole
SMILESCCC1CC=NN1Cc1cc(F)ccc1OC
InChIInChI=1S/C13H17FN2O/c1-3-12-6-7-15-16(12)9-10-8-11(14)4-5-13(10)17-2/h4-5,7-8,12H,3,6,9H2,1-2H3
InChIKeyZVMAFBVXTAZWAT-UHFFFAOYSA-N
XLogP2.80
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole?
The IUPAC name of 3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole (CID 167847633) is 3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole.
What is the SMILES notation for 3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole?
The canonical SMILES for 3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole is CCC1CC=NN1Cc1cc(F)ccc1OC.
What is the InChIKey of 3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole?
The InChIKey is ZVMAFBVXTAZWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-3-12-6-7-15-16(12)9-10-8-11(14)4-5-13(10)17-2/h4-5,7-8,12H,3,6,9H2,1-2H3.
What are the key properties of 3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole?
3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole has a molecular weight of 236.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole is sourced from PubChem (CID 167847633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).