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

C9H10FN3 — CID 15580677

IUPAC2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2ccc(F)cc2)CC1
InChIInChI=1S/C9H10FN3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12-13/h1-4H,5-6H2,(H2,11,12)
InChIKeyUKEIKMJWTWLISN-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.31
Rot. Bonds1

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

2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine (PubChem CID 15580677) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine
PubChem CID15580677
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2ccc(F)cc2)CC1
InChIInChI=1S/C9H10FN3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12-13/h1-4H,5-6H2,(H2,11,12)
InChIKeyUKEIKMJWTWLISN-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-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine (CID 15580677) is 2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine is NC1=NN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine?
The InChIKey is UKEIKMJWTWLISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12-13/h1-4H,5-6H2,(H2,11,12).
What are the key properties of 2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine?
2-(4-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-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 15580677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).