3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine

C11H12FN3O — CID 82079978

IUPAC3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine
SMILESCn1nc(COc2ccc(F)cc2)cc1N
InChIInChI=1S/C11H12FN3O/c1-15-11(13)6-9(14-15)7-16-10-4-2-8(12)3-5-10/h2-6H,7,13H2,1H3
InChIKeyRUOKEVCIFUGTPP-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.72
Rot. Bonds3

About 3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine

3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine (PubChem CID 82079978) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine
PubChem CID82079978
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine
SMILESCn1nc(COc2ccc(F)cc2)cc1N
InChIInChI=1S/C11H12FN3O/c1-15-11(13)6-9(14-15)7-16-10-4-2-8(12)3-5-10/h2-6H,7,13H2,1H3
InChIKeyRUOKEVCIFUGTPP-UHFFFAOYSA-N
XLogP1.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine
CID 82085161
3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117215894
3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine
CID 82082157
1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine
CID 82092271
1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117216063
3-(aminomethyl)-1-methylpyrazol-5-amine
CID 82502392
3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine
CID 82079512
3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine
CID 115092972
1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine
CID 50999579
2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117255760
3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine
CID 82087820

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine (CID 82079978) is 3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine is Cn1nc(COc2ccc(F)cc2)cc1N.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine?
The InChIKey is RUOKEVCIFUGTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15-11(13)6-9(14-15)7-16-10-4-2-8(12)3-5-10/h2-6H,7,13H2,1H3.
What are the key properties of 3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine?
3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine has a molecular weight of 221.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 82079978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).