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

C10H9FN2O — CID 130569602

IUPAC4-[(2-fluorophenoxy)methyl]-1H-pyrazole
SMILESFc1ccccc1OCc1cn[nH]c1
InChIInChI=1S/C10H9FN2O/c11-9-3-1-2-4-10(9)14-7-8-5-12-13-6-8/h1-6H,7H2,(H,12,13)
InChIKeyVNJGQTBJVXBHJF-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.13
Rot. Bonds3

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

4-[(2-fluorophenoxy)methyl]-1H-pyrazole (PubChem CID 130569602) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-[(2-fluorophenoxy)methyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(2-fluorophenoxy)methyl]-1H-pyrazole
PubChem CID130569602
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name4-[(2-fluorophenoxy)methyl]-1H-pyrazole
SMILESFc1ccccc1OCc1cn[nH]c1
InChIInChI=1S/C10H9FN2O/c11-9-3-1-2-4-10(9)14-7-8-5-12-13-6-8/h1-6H,7H2,(H,12,13)
InChIKeyVNJGQTBJVXBHJF-UHFFFAOYSA-N
XLogP2.13
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride
CID 167516371
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56744907
5-fluoro-2-[(2-fluorophenoxy)methyl]pyridine
CID 123573054
2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline
CID 130629181
1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
CID 64766010
4-[2-(2-fluorophenoxy)ethyl]phenol
CID 154643282
5-bromo-2-[(2-fluorophenoxy)methyl]-1H-imidazole
CID 117187238
4-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464594
N-ethyl-5-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62194578
2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine
CID 116519330
[3-fluoro-5-[(2-fluorophenoxy)methyl]phenyl]boronic acid
CID 79706409

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenoxy)methyl]-1H-pyrazole?
The IUPAC name of 4-[(2-fluorophenoxy)methyl]-1H-pyrazole (CID 130569602) is 4-[(2-fluorophenoxy)methyl]-1H-pyrazole.
What is the SMILES notation for 4-[(2-fluorophenoxy)methyl]-1H-pyrazole?
The canonical SMILES for 4-[(2-fluorophenoxy)methyl]-1H-pyrazole is Fc1ccccc1OCc1cn[nH]c1.
What is the InChIKey of 4-[(2-fluorophenoxy)methyl]-1H-pyrazole?
The InChIKey is VNJGQTBJVXBHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-9-3-1-2-4-10(9)14-7-8-5-12-13-6-8/h1-6H,7H2,(H,12,13).
What are the key properties of 4-[(2-fluorophenoxy)methyl]-1H-pyrazole?
4-[(2-fluorophenoxy)methyl]-1H-pyrazole has a molecular weight of 192.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenoxy)methyl]-1H-pyrazole is sourced from PubChem (CID 130569602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).