3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine

C10H11FN4 — CID 83864514

IUPAC3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine
SMILESNCc1cc(N)n(-c2cccc(F)c2)n1
InChIInChI=1S/C10H11FN4/c11-7-2-1-3-9(4-7)15-10(13)5-8(6-12)14-15/h1-5H,6,12-13H2
InChIKeyDUOXWEQHQMANQS-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.05
Rot. Bonds2

About 3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine

3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine (PubChem CID 83864514) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine
PubChem CID83864514
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine
SMILESNCc1cc(N)n(-c2cccc(F)c2)n1
InChIInChI=1S/C10H11FN4/c11-7-2-1-3-9(4-7)15-10(13)5-8(6-12)14-15/h1-5H,6,12-13H2
InChIKeyDUOXWEQHQMANQS-UHFFFAOYSA-N
XLogP1.05
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine?
The IUPAC name of 3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine (CID 83864514) is 3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine?
The canonical SMILES for 3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine is NCc1cc(N)n(-c2cccc(F)c2)n1.
What is the InChIKey of 3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine?
The InChIKey is DUOXWEQHQMANQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-7-2-1-3-9(4-7)15-10(13)5-8(6-12)14-15/h1-5H,6,12-13H2.
What are the key properties of 3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine?
3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine has a molecular weight of 206.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine is sourced from PubChem (CID 83864514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).