5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine

C10H9F2N3O — CID 117322792

IUPAC5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(F)cc(F)cc1-c1cc(N)n[nH]1
InChIInChI=1S/C10H9F2N3O/c1-16-10-6(2-5(11)3-7(10)12)8-4-9(13)15-14-8/h2-4H,1H3,(H3,13,14,15)
InChIKeyHINJTZFBXXLUMO-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.95
Rot. Bonds2

About 5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine

5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 117322792) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID117322792
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(F)cc(F)cc1-c1cc(N)n[nH]1
InChIInChI=1S/C10H9F2N3O/c1-16-10-6(2-5(11)3-7(10)12)8-4-9(13)15-14-8/h2-4H,1H3,(H3,13,14,15)
InChIKeyHINJTZFBXXLUMO-UHFFFAOYSA-N
XLogP1.95
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine (CID 117322792) is 5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine is COc1c(F)cc(F)cc1-c1cc(N)n[nH]1.
What is the InChIKey of 5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is HINJTZFBXXLUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-16-10-6(2-5(11)3-7(10)12)8-4-9(13)15-14-8/h2-4H,1H3,(H3,13,14,15).
What are the key properties of 5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine?
5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 225.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117322792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).