1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole

C12H13FN2O — CID 64766010

IUPAC1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
SMILESCCn1cc(COc2ccccc2F)cn1
InChIInChI=1S/C12H13FN2O/c1-2-15-8-10(7-14-15)9-16-12-6-4-3-5-11(12)13/h3-8H,2,9H2,1H3
InChIKeySXJLNYGLLGLMGR-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.62
Rot. Bonds4

About 1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole

1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole (PubChem CID 64766010) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
PubChem CID64766010
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
SMILESCCn1cc(COc2ccccc2F)cn1
InChIInChI=1S/C12H13FN2O/c1-2-15-8-10(7-14-15)9-16-12-6-4-3-5-11(12)13/h3-8H,2,9H2,1H3
InChIKeySXJLNYGLLGLMGR-UHFFFAOYSA-N
XLogP2.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-trifluoroboranuide
CID 63677026
2-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 62126855
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 62126496
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78936450
4-[(1-ethylpyrazol-4-yl)methoxy]-2,5-difluoroaniline
CID 63600050
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125623
3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol
CID 62125688
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine
CID 62128091
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891510
(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891509
4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole?
The IUPAC name of 1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole (CID 64766010) is 1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole.
What is the SMILES notation for 1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole?
The canonical SMILES for 1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole is CCn1cc(COc2ccccc2F)cn1.
What is the InChIKey of 1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole?
The InChIKey is SXJLNYGLLGLMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-2-15-8-10(7-14-15)9-16-12-6-4-3-5-11(12)13/h3-8H,2,9H2,1H3.
What are the key properties of 1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole?
1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole has a molecular weight of 220.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole is sourced from PubChem (CID 64766010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).