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

C13H16FN3O — CID 55145372

IUPAC5-(3-fluoro-4-methoxyphenyl)-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1cc(-c2ccc(OC)c(F)c2)[nH]n1
InChIInChI=1S/C13H16FN3O/c1-3-6-15-13-8-11(16-17-13)9-4-5-12(18-2)10(14)7-9/h4-5,7-8H,3,6H2,1-2H3,(H2,15,16,17)
InChIKeyYUQOCMSKOQDHQA-UHFFFAOYSA-N
MW249.29 g/mol
LogP3.05
Rot. Bonds5

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

5-(3-fluoro-4-methoxyphenyl)-N-propyl-1H-pyrazol-3-amine (PubChem CID 55145372) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N-propyl-1H-pyrazol-3-amine
PubChem CID55145372
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1cc(-c2ccc(OC)c(F)c2)[nH]n1
InChIInChI=1S/C13H16FN3O/c1-3-6-15-13-8-11(16-17-13)9-4-5-12(18-2)10(14)7-9/h4-5,7-8H,3,6H2,1-2H3,(H2,15,16,17)
InChIKeyYUQOCMSKOQDHQA-UHFFFAOYSA-N
XLogP3.05
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-propyl-1H-pyrazol-3-amine (CID 55145372) is 5-(3-fluoro-4-methoxyphenyl)-N-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N-propyl-1H-pyrazol-3-amine is CCCNc1cc(-c2ccc(OC)c(F)c2)[nH]n1.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N-propyl-1H-pyrazol-3-amine?
The InChIKey is YUQOCMSKOQDHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-3-6-15-13-8-11(16-17-13)9-4-5-12(18-2)10(14)7-9/h4-5,7-8H,3,6H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N-propyl-1H-pyrazol-3-amine?
5-(3-fluoro-4-methoxyphenyl)-N-propyl-1H-pyrazol-3-amine has a molecular weight of 249.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-N-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 55145372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).