2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine

C9H10FN3 — CID 13309510

IUPAC2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2cccc(F)c2)CC1
InChIInChI=1S/C9H10FN3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12-13/h1-3,6H,4-5H2,(H2,11,12)
InChIKeyIJSZHAHUVPRPJC-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.31
Rot. Bonds1

About 2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine

2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine (PubChem CID 13309510) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine
PubChem CID13309510
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2cccc(F)c2)CC1
InChIInChI=1S/C9H10FN3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12-13/h1-3,6H,4-5H2,(H2,11,12)
InChIKeyIJSZHAHUVPRPJC-UHFFFAOYSA-N
XLogP1.31
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine (CID 13309510) is 2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine is NC1=NN(c2cccc(F)c2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine?
The InChIKey is IJSZHAHUVPRPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12-13/h1-3,6H,4-5H2,(H2,11,12).
What are the key properties of 2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine?
2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine has a molecular weight of 179.20 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 13309510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).