5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine

C11H11F2N3O — CID 122171360

IUPAC5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine
SMILESCn1nc(N)cc1COc1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3O/c1-16-8(5-11(14)15-16)6-17-10-3-2-7(12)4-9(10)13/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyPBKPRSMLMOWVBE-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.86
Rot. Bonds3

About 5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine

5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine (PubChem CID 122171360) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine
PubChem CID122171360
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine
SMILESCn1nc(N)cc1COc1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3O/c1-16-8(5-11(14)15-16)6-17-10-3-2-7(12)4-9(10)13/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyPBKPRSMLMOWVBE-UHFFFAOYSA-N
XLogP1.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine
CID 117217148
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine
CID 107665501
4-[(2,4-difluorophenoxy)methyl]pyridin-2-amine
CID 62464402
3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline
CID 50896803
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol
CID 107690650
5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-4-fluoroaniline
CID 103482784
3-[(2,4-difluorophenoxy)methyl]-5-fluoroaniline
CID 112646416
3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine
CID 82080942
4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 43137897
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 38934992

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine (CID 122171360) is 5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine is Cn1nc(N)cc1COc1ccc(F)cc1F.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine?
The InChIKey is PBKPRSMLMOWVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-16-8(5-11(14)15-16)6-17-10-3-2-7(12)4-9(10)13/h2-5H,6H2,1H3,(H2,14,15).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine?
5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine has a molecular weight of 239.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 122171360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).