1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine

C10H9F2N3O — CID 19618291

IUPAC1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine
SMILESNc1ccn(COc2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H9F2N3O/c11-8-2-1-7(5-9(8)12)16-6-15-4-3-10(13)14-15/h1-5H,6H2,(H2,13,14)
InChIKeyYWHPLMBYUMWSPC-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.78
Rot. Bonds3

About 1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine

1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine (PubChem CID 19618291) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine
PubChem CID19618291
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine
SMILESNc1ccn(COc2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H9F2N3O/c11-8-2-1-7(5-9(8)12)16-6-15-4-3-10(13)14-15/h1-5H,6H2,(H2,13,14)
InChIKeyYWHPLMBYUMWSPC-UHFFFAOYSA-N
XLogP1.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine (CID 19618291) is 1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine is Nc1ccn(COc2ccc(F)c(F)c2)n1.
What is the InChIKey of 1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine?
The InChIKey is YWHPLMBYUMWSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-8-2-1-7(5-9(8)12)16-6-15-4-3-10(13)14-15/h1-5H,6H2,(H2,13,14).
What are the key properties of 1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine?
1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine has a molecular weight of 225.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenoxy)methyl]pyrazol-3-amine is sourced from PubChem (CID 19618291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).