5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine

C11H9FN4 — CID 136986362

IUPAC5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1c[nH]c2cccc(F)c12
InChIInChI=1S/C11H9FN4/c12-7-2-1-3-9-10(7)6(4-14-9)11-8(13)5-15-16-11/h1-5,14H,13H2,(H,15,16)
InChIKeyRTPWTTTZBIKEDK-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.28
Rot. Bonds1

About 5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine

5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine (PubChem CID 136986362) has the molecular formula C11H9FN4 and a molecular weight of 216.22 g/mol. Its IUPAC name is 5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine
PubChem CID136986362
Molecular FormulaC11H9FN4
Molecular Weight216.22 g/mol
Exact Mass216.08
IUPAC Name5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1c[nH]c2cccc(F)c12
InChIInChI=1S/C11H9FN4/c12-7-2-1-3-9-10(7)6(4-14-9)11-8(13)5-15-16-11/h1-5,14H,13H2,(H,15,16)
InChIKeyRTPWTTTZBIKEDK-UHFFFAOYSA-N
XLogP2.28
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine (CID 136986362) is 5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine is Nc1cn[nH]c1-c1c[nH]c2cccc(F)c12.
What is the InChIKey of 5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine?
The InChIKey is RTPWTTTZBIKEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4/c12-7-2-1-3-9-10(7)6(4-14-9)11-8(13)5-15-16-11/h1-5,14H,13H2,(H,15,16).
What are the key properties of 5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine?
5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine has a molecular weight of 216.22 g/mol, XLogP of 2.28, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 136986362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).