5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine

C13H14FN3 — CID 117334288

IUPAC5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3c(cc2F)CCCC3)[nH]n1
InChIInChI=1S/C13H14FN3/c14-11-6-9-4-2-1-3-8(9)5-10(11)12-7-13(15)17-16-12/h5-7H,1-4H2,(H3,15,16,17)
InChIKeyBALIFUHKXCEYBH-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.68
Rot. Bonds1

About 5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine

5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine (PubChem CID 117334288) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine
PubChem CID117334288
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3c(cc2F)CCCC3)[nH]n1
InChIInChI=1S/C13H14FN3/c14-11-6-9-4-2-1-3-8(9)5-10(11)12-7-13(15)17-16-12/h5-7H,1-4H2,(H3,15,16,17)
InChIKeyBALIFUHKXCEYBH-UHFFFAOYSA-N
XLogP2.68
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine (CID 117334288) is 5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine is Nc1cc(-c2cc3c(cc2F)CCCC3)[nH]n1.
What is the InChIKey of 5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine?
The InChIKey is BALIFUHKXCEYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-11-6-9-4-2-1-3-8(9)5-10(11)12-7-13(15)17-16-12/h5-7H,1-4H2,(H3,15,16,17).
What are the key properties of 5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine?
5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine has a molecular weight of 231.27 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117334288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).