[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine

C13H16FN3O — CID 107665501

IUPAC[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine
SMILESCc1cc(COc2ccc(CN)cc2F)n(C)n1
InChIInChI=1S/C13H16FN3O/c1-9-5-11(17(2)16-9)8-18-13-4-3-10(7-15)6-12(13)14/h3-6H,7-8,15H2,1-2H3
InChIKeyVMXAMVWOGHMVBL-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.91
Rot. Bonds4

About [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine

[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine (PubChem CID 107665501) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine
PubChem CID107665501
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine
SMILESCc1cc(COc2ccc(CN)cc2F)n(C)n1
InChIInChI=1S/C13H16FN3O/c1-9-5-11(17(2)16-9)8-18-13-4-3-10(7-15)6-12(13)14/h3-6H,7-8,15H2,1-2H3
InChIKeyVMXAMVWOGHMVBL-UHFFFAOYSA-N
XLogP1.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol
CID 107690650
[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-fluorophenyl]methanamine
CID 107686227
[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79163176
2-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79887516
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol
CID 79887881
5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine
CID 122171360
[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-4-fluorophenyl]-trifluoroboranuide
CID 114675060
4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline
CID 58858055
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 79158515

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine (CID 107665501) is [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine is Cc1cc(COc2ccc(CN)cc2F)n(C)n1.
What is the InChIKey of [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine?
The InChIKey is VMXAMVWOGHMVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-9-5-11(17(2)16-9)8-18-13-4-3-10(7-15)6-12(13)14/h3-6H,7-8,15H2,1-2H3.
What are the key properties of [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine?
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine has a molecular weight of 249.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine is sourced from PubChem (CID 107665501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).