5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine

C13H16FN3O2 — CID 63048520

IUPAC5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
SMILESCOCCNc1cc(-c2ccc(OC)c(F)c2)[nH]n1
InChIInChI=1S/C13H16FN3O2/c1-18-6-5-15-13-8-11(16-17-13)9-3-4-12(19-2)10(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H2,15,16,17)
InChIKeyKTNBQGILNGFWKQ-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.28
Rot. Bonds6

About 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine

5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine (PubChem CID 63048520) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
PubChem CID63048520
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
SMILESCOCCNc1cc(-c2ccc(OC)c(F)c2)[nH]n1
InChIInChI=1S/C13H16FN3O2/c1-18-6-5-15-13-8-11(16-17-13)9-3-4-12(19-2)10(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H2,15,16,17)
InChIKeyKTNBQGILNGFWKQ-UHFFFAOYSA-N
XLogP2.28
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine (CID 63048520) is 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine is COCCNc1cc(-c2ccc(OC)c(F)c2)[nH]n1.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The InChIKey is KTNBQGILNGFWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-18-6-5-15-13-8-11(16-17-13)9-3-4-12(19-2)10(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine has a molecular weight of 265.29 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63048520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).